2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one

C95H118BrClFN25O8 — CID 157395750

IUPAC2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESC=Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCC(=O)CN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCN(C)CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCOCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C(N)CC1CCC(Cl)CC1)c1ccc(F)cc21
InChIInChI=1S/C23H29ClFN5O2.C19H26N6O.C19H23N5O.C18H23N5O2.C16H17BrN4O2/c1-13-20-21(29-28-13)17-12-16(25)7-8-19(17)30(23(20)32)10-2-9-27-22(31)18(26)11-14-3-5-15(24)6-4-14;1-13-17-18(22-21-13)15-12-14(24-10-8-23(2)9-11-24)4-5-16(15)25(19(17)26)7-3-6-20;1-2-15-17-18(22-21-15)14-12-13(23-9-3-4-10-23)6-7-16(14)24(19(17)25)11-5-8-20;1-12-16-17(21-20-12)14-11-13(22-7-9-25-10-8-22)3-4-15(14)23(18(16)24)6-2-5-19;1-9-14-15(20-19-9)12-7-10(17)4-5-13(12)21(16(14)23)6-2-3-11(22)8-18/h7-8,12,14-15,18H,2-6,9-11,26H2,1H3,(H,27,31)(H,28,29);4-5,12H,3,6-11,20H2,1-2H3,(H,21,22);2,6-7,12H,1,3-5,8-11,20H2,(H,21,22);3-4,11H,2,5-10,19H2,1H3,(H,20,21);4-5,7H,2-3,6,8,18H2,1H3,(H,19,20)
InChIKeyBMNZCCGLRBMPAT-UHFFFAOYSA-N
MW1872.51 g/mol
LogP10.73
Rot. Bonds25

About 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one

2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 157395750) has the molecular formula C95H118BrClFN25O8 and a molecular weight of 1872.51 g/mol. Its IUPAC name is 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID157395750
Molecular FormulaC95H118BrClFN25O8
Molecular Weight1872.51 g/mol
Exact Mass1869.85
IUPAC Name2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESC=Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCC(=O)CN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCN(C)CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCOCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C(N)CC1CCC(Cl)CC1)c1ccc(F)cc21
InChIInChI=1S/C23H29ClFN5O2.C19H26N6O.C19H23N5O.C18H23N5O2.C16H17BrN4O2/c1-13-20-21(29-28-13)17-12-16(25)7-8-19(17)30(23(20)32)10-2-9-27-22(31)18(26)11-14-3-5-15(24)6-4-14;1-13-17-18(22-21-13)15-12-14(24-10-8-23(2)9-11-24)4-5-16(15)25(19(17)26)7-3-6-20;1-2-15-17-18(22-21-15)14-12-13(23-9-3-4-10-23)6-7-16(14)24(19(17)25)11-5-8-20;1-12-16-17(21-20-12)14-11-13(22-7-9-25-10-8-22)3-4-15(14)23(18(16)24)6-2-5-19;1-9-14-15(20-19-9)12-7-10(17)4-5-13(12)21(16(14)23)6-2-3-11(22)8-18/h7-8,12,14-15,18H,2-6,9-11,26H2,1H3,(H,27,31)(H,28,29);4-5,12H,3,6-11,20H2,1-2H3,(H,21,22);2,6-7,12H,1,3-5,8-11,20H2,(H,21,22);3-4,11H,2,5-10,19H2,1H3,(H,20,21);4-5,7H,2-3,6,8,18H2,1H3,(H,19,20)
InChIKeyBMNZCCGLRBMPAT-UHFFFAOYSA-N
XLogP10.73
TPSA451.86 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001872.51
LogP ≤ 510.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Related Compounds

8-amino-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]acetamide;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-2-(dimethylamino)acetamide;(2S)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide;(2R)-N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]pyrrolidine-2-carboxamide
CID 157246067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 157395750) is 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one is C=Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCC(=O)CN)c1ccc(Br)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCN(C)CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(N3CCOCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C(N)CC1CCC(Cl)CC1)c1ccc(F)cc21.
What is the InChIKey of 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is BMNZCCGLRBMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFN5O2.C19H26N6O.C19H23N5O.C18H23N5O2.C16H17BrN4O2/c1-13-20-21(29-28-13)17-12-16(25)7-8-19(17)30(23(20)32)10-2-9-27-22(31)18(26)11-14-3-5-15(24)6-4-14;1-13-17-18(22-21-13)15-12-14(24-10-8-23(2)9-11-24)4-5-16(15)25(19(17)26)7-3-6-20;1-2-15-17-18(22-21-15)14-12-13(23-9-3-4-10-23)6-7-16(14)24(19(17)25)11-5-8-20;1-12-16-17(21-20-12)14-11-13(22-7-9-25-10-8-22)3-4-15(14)23(18(16)24)6-2-5-19;1-9-14-15(20-19-9)12-7-10(17)4-5-13(12)21(16(14)23)6-2-3-11(22)8-18/h7-8,12,14-15,18H,2-6,9-11,26H2,1H3,(H,27,31)(H,28,29);4-5,12H,3,6-11,20H2,1-2H3,(H,21,22);2,6-7,12H,1,3-5,8-11,20H2,(H,21,22);3-4,11H,2,5-10,19H2,1H3,(H,20,21);4-5,7H,2-3,6,8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one?
2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 1872.51 g/mol, XLogP of 10.73, 25 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorocyclohexyl)-N-[3-(8-fluoro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;5-(5-amino-4-oxopentyl)-8-bromo-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethenyl-8-pyrrolidin-1-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-morpholin-4-yl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 157395750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).