7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine

C25H25ClN4 — CID 174570186

IUPAC7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
SMILES[H]/N=C(\CCC)Cc1cc(-c2ccccc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H25ClN4/c1-3-7-21(27)14-19-15-25(18-8-5-4-6-9-18)30(17(19)2)29-23-12-13-28-24-16-20(26)10-11-22(23)24/h4-6,8-13,15-16,27H,3,7,14H2,1-2H3,(H,28,29)/b27-21+
InChIKeyQMQVVYRNLWYYCP-SZXQPVLSSA-N
MW416.96 g/mol
LogP6.90
Rot. Bonds7

About 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine

7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine (PubChem CID 174570186) has the molecular formula C25H25ClN4 and a molecular weight of 416.96 g/mol. Its IUPAC name is 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
PubChem CID174570186
Molecular FormulaC25H25ClN4
Molecular Weight416.96 g/mol
Exact Mass416.18
IUPAC Name7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
SMILES[H]/N=C(\CCC)Cc1cc(-c2ccccc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H25ClN4/c1-3-7-21(27)14-19-15-25(18-8-5-4-6-9-18)30(17(19)2)29-23-12-13-28-24-16-20(26)10-11-22(23)24/h4-6,8-13,15-16,27H,3,7,14H2,1-2H3,(H,28,29)/b27-21+
InChIKeyQMQVVYRNLWYYCP-SZXQPVLSSA-N
XLogP6.90
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.96
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
CID 44568687
7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
CID 16719030
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
N-butyl-7-chloroquinolin-4-amine
CID 10037042
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine (CID 174570186) is 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine is [H]/N=C(\CCC)Cc1cc(-c2ccccc2)n(Nc2ccnc3cc(Cl)ccc23)c1C.
What is the InChIKey of 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is QMQVVYRNLWYYCP-SZXQPVLSSA-N. The full InChI is InChI=1S/C25H25ClN4/c1-3-7-21(27)14-19-15-25(18-8-5-4-6-9-18)30(17(19)2)29-23-12-13-28-24-16-20(26)10-11-22(23)24/h4-6,8-13,15-16,27H,3,7,14H2,1-2H3,(H,28,29)/b27-21+.
What are the key properties of 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 416.96 g/mol, XLogP of 6.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 174570186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).