6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine

C20H17Cl2N5 — CID 141086284

IUPAC6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
SMILESClc1ccc2nc(-c3cnc4ccc(Cl)cc4c3NC3CCNC3)[nH]c2c1
InChIInChI=1S/C20H17Cl2N5/c21-11-1-3-16-14(7-11)19(25-13-5-6-23-9-13)15(10-24-16)20-26-17-4-2-12(22)8-18(17)27-20/h1-4,7-8,10,13,23H,5-6,9H2,(H,24,25)(H,26,27)
InChIKeyLGHWVBGYQIWJQA-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.86
Rot. Bonds3

About 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine

6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine (PubChem CID 141086284) has the molecular formula C20H17Cl2N5 and a molecular weight of 398.30 g/mol. Its IUPAC name is 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
PubChem CID141086284
Molecular FormulaC20H17Cl2N5
Molecular Weight398.30 g/mol
Exact Mass397.09
IUPAC Name6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
SMILESClc1ccc2nc(-c3cnc4ccc(Cl)cc4c3NC3CCNC3)[nH]c2c1
InChIInChI=1S/C20H17Cl2N5/c21-11-1-3-16-14(7-11)19(25-13-5-6-23-9-13)15(10-24-16)20-26-17-4-2-12(22)8-18(17)27-20/h1-4,7-8,10,13,23H,5-6,9H2,(H,24,25)(H,26,27)
InChIKeyLGHWVBGYQIWJQA-UHFFFAOYSA-N
XLogP4.86
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine
CID 141086349
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 136599580
6-chloro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-pyrrolidin-3-ylquinoline
CID 174439850
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141086265
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 169493736
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-N-cyclopropyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-N-[(3S)-piperidin-3-yl]pyrimidine-2,4-diamine
CID 171483015
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine?
The IUPAC name of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine (CID 141086284) is 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine.
What is the SMILES notation for 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine?
The canonical SMILES for 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine is Clc1ccc2nc(-c3cnc4ccc(Cl)cc4c3NC3CCNC3)[nH]c2c1.
What is the InChIKey of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine?
The InChIKey is LGHWVBGYQIWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5/c21-11-1-3-16-14(7-11)19(25-13-5-6-23-9-13)15(10-24-16)20-26-17-4-2-12(22)8-18(17)27-20/h1-4,7-8,10,13,23H,5-6,9H2,(H,24,25)(H,26,27).
What are the key properties of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine?
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine has a molecular weight of 398.30 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine is sourced from PubChem (CID 141086284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).