7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine

C24H18ClN3 — CID 102512599

IUPAC7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
SMILESClc1ccc2c(c1)c(Nc1ccccc1)c(Nc1ccccc1)c1cccn12
InChIInChI=1S/C24H18ClN3/c25-17-13-14-21-20(16-17)23(26-18-8-3-1-4-9-18)24(22-12-7-15-28(21)22)27-19-10-5-2-6-11-19/h1-16,26-27H
InChIKeyXDIJDDMYGZJEJY-UHFFFAOYSA-N
MW383.88 g/mol
LogP7.23
Rot. Bonds4

About 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine

7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine (PubChem CID 102512599) has the molecular formula C24H18ClN3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine.

Molecular Properties

Compound Name7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
PubChem CID102512599
Molecular FormulaC24H18ClN3
Molecular Weight383.88 g/mol
Exact Mass383.12
IUPAC Name7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
SMILESClc1ccc2c(c1)c(Nc1ccccc1)c(Nc1ccccc1)c1cccn12
InChIInChI=1S/C24H18ClN3/c25-17-13-14-21-20(16-17)23(26-18-8-3-1-4-9-18)24(22-12-7-15-28(21)22)27-19-10-5-2-6-11-19/h1-16,26-27H
InChIKeyXDIJDDMYGZJEJY-UHFFFAOYSA-N
XLogP7.23
TPSA28.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
CID 101247441
8-benzyl-14-chloro-2,8,9,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 102054887
4-(4-chlorophenyl)pyrrolo[1,2-a]quinoline
CID 42612557
7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 10085894
6-chloro-3-(4-chlorophenyl)-N-phenyl-9-propylcarbazol-2-amine
CID 171794178
(2-anilino-4-chlorophenyl)boronic acid
CID 67831922
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
7-chloro-5-phenylimidazo[1,2-a]quinoline
CID 14357903
6-chloro-2-(imidazol-1-ylmethyl)-N-phenylquinazolin-4-amine
CID 19392116
N-phenyl-7-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
CID 59587767
7-chloropyrrolo[1,2-a]quinoline
CID 101270270
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The IUPAC name of 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine (CID 102512599) is 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine.
What is the SMILES notation for 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The canonical SMILES for 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine is Clc1ccc2c(c1)c(Nc1ccccc1)c(Nc1ccccc1)c1cccn12.
What is the InChIKey of 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The InChIKey is XDIJDDMYGZJEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3/c25-17-13-14-21-20(16-17)23(26-18-8-3-1-4-9-18)24(22-12-7-15-28(21)22)27-19-10-5-2-6-11-19/h1-16,26-27H.
What are the key properties of 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine has a molecular weight of 383.88 g/mol, XLogP of 7.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine is sourced from PubChem (CID 102512599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).