7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide

C25H32N4O3 — CID 56565626

IUPAC7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C25H32N4O3/c1-25(2)16-21-19(22(30)17-25)15-20(24(32)27-21)23(31)26-9-6-10-28-11-13-29(14-12-28)18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14,16-17H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyNLIGFQKWPQKHHJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.47
Rot. Bonds6

About 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565626) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56565626
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C25H32N4O3/c1-25(2)16-21-19(22(30)17-25)15-20(24(32)27-21)23(31)26-9-6-10-28-11-13-29(14-12-28)18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14,16-17H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyNLIGFQKWPQKHHJ-UHFFFAOYSA-N
XLogP2.47
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56561600
7,7-dimethyl-2,5-dioxo-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562685
N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467
7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559974
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559994
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
7-methyl-N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495563
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
7,7-dimethyl-N-(2-methyl-4-morpholin-4-ylphenyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563264
7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565515

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565626) is 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is NLIGFQKWPQKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2)16-21-19(22(30)17-25)15-20(24(32)27-21)23(31)26-9-6-10-28-11-13-29(14-12-28)18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14,16-17H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).