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

C21H20ClN5 — CID 141086265

IUPAC3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2ncc(-c3nc4ccccc4[nH]3)c(NCC3CCCN3)c2c1
InChIInChI=1S/C21H20ClN5/c22-13-7-8-17-15(10-13)20(25-11-14-4-3-9-23-14)16(12-24-17)21-26-18-5-1-2-6-19(18)27-21/h1-2,5-8,10,12,14,23H,3-4,9,11H2,(H,24,25)(H,26,27)
InChIKeyAUPBYQLRPKPXDC-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.60
Rot. Bonds4

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

3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (PubChem CID 141086265) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
PubChem CID141086265
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
SMILESClc1ccc2ncc(-c3nc4ccccc4[nH]3)c(NCC3CCCN3)c2c1
InChIInChI=1S/C21H20ClN5/c22-13-7-8-17-15(10-13)20(25-11-14-4-3-9-23-14)16(12-24-17)21-26-18-5-1-2-6-19(18)27-21/h1-2,5-8,10,12,14,23H,3-4,9,11H2,(H,24,25)(H,26,27)
InChIKeyAUPBYQLRPKPXDC-UHFFFAOYSA-N
XLogP4.60
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086325
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
N'-[3-(1H-benzimidazol-2-yl)-6-bromoquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086374
3-(1H-benzimidazol-2-yl)-6-bromo-N-[(3S)-pyrrolidin-3-yl]quinolin-4-amine
CID 141086349
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
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one
CID 70020244

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (CID 141086265) is 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is Clc1ccc2ncc(-c3nc4ccccc4[nH]3)c(NCC3CCCN3)c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
The InChIKey is AUPBYQLRPKPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-13-7-8-17-15(10-13)20(25-11-14-4-3-9-23-14)16(12-24-17)21-26-18-5-1-2-6-19(18)27-21/h1-2,5-8,10,12,14,23H,3-4,9,11H2,(H,24,25)(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine has a molecular weight of 377.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 141086265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).