2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde — IUPAC name, SMILES, InChIKey & properties

Name: 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde

2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde (PubChem CID 158686258) has the molecular formula C83H100ClN25O10 and a molecular weight of 1643.33 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name	2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde
PubChem CID	158686258
Molecular Formula	C83H100ClN25O10
Molecular Weight	1643.33 g/mol
Exact Mass	1641.78
IUPAC Name	2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde
SMILES	CN(C)CCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccccc21.N.N.N.N.NC(Cc1ccc(Cl)cc1)C(=O)NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21
InChI	InChI=1S/C23H22ClN5O3.C16H18N4O2.C16H20N4O.2C14H14N4O2.4H3N/c24-15-8-6-14(7-9-15)12-17(25)22(31)26-10-3-11-29-19-5-2-1-4-16(19)21-20(23(29)32)18(13-30)27-28-21;1-19(2)8-5-9-20-13-7-4-3-6-11(13)15-14(16(20)22)12(10-21)17-18-15;1-11-14-15(18-17-11)12-7-4-5-8-13(12)20(16(14)21)10-6-9-19(2)3;215-6-3-7-18-11-5-2-1-4-9(11)13-12(14(18)20)10(8-19)16-17-13;;;;/h1-2,4-9,13,17H,3,10-12,25H2,(H,26,31)(H,27,28);3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18);4-5,7-8H,6,9-10H2,1-3H3,(H,17,18);21-2,4-5,8H,3,6-7,15H2,(H,16,17);4*1H3
InChIKey	UGQRYNUCBQAVQV-UHFFFAOYSA-N
XLogP	8.93
TPSA	575.32 Å²
H-Bond Donors	13
H-Bond Acceptors	29
Rotatable Bonds	25
Heavy Atoms	119
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.33
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde?

The IUPAC name of 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde (CID 158686258) is 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde.

What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde?

The canonical SMILES for 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde is CN(C)CCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CCCN(C)C)c1ccccc21.N.N.N.N.NC(Cc1ccc(Cl)cc1)C(=O)NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.NCCCn1c(=O)c2c(C=O)[nH]nc2c2ccccc21.

What is the InChIKey of 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde?

The InChIKey is UGQRYNUCBQAVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3.C16H18N4O2.C16H20N4O.2C14H14N4O2.4H3N/c24-15-8-6-14(7-9-15)12-17(25)22(31)26-10-3-11-29-19-5-2-1-4-16(19)21-20(23(29)32)18(13-30)27-28-21;1-19(2)8-5-9-20-13-7-4-3-6-11(13)15-14(16(20)22)12(10-21)17-18-15;1-11-14-15(18-17-11)12-7-4-5-8-13(12)20(16(14)21)10-6-9-19(2)3;2*15-6-3-7-18-11-5-2-1-4-9(11)13-12(14(18)20)10(8-19)16-17-13;;;;/h1-2,4-9,13,17H,3,10-12,25H2,(H,26,31)(H,27,28);3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18);4-5,7-8H,6,9-10H2,1-3H3,(H,17,18);2*1-2,4-5,8H,3,6-7,15H2,(H,16,17);4*1H3.

What are the key properties of 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde?

Where does this data come from?

All data for 2-amino-3-(4-chlorophenyl)-N-[3-(3-formyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]propanamide;bis(5-(3-aminopropyl)-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde);azane;5-[3-(dimethylamino)propyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-[3-(dimethylamino)propyl]-4-oxo-2H-pyrazolo[4,3-c]quinoline-3-carbaldehyde is sourced from PubChem (CID 158686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).