6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one

C20H17Cl2N5O — CID 136599580

IUPAC6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CCNC2)c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H17Cl2N5O/c21-10-1-3-14-13(7-10)18(24-12-5-6-23-9-12)17(20(28)27-14)19-25-15-4-2-11(22)8-16(15)26-19/h1-4,7-8,12,23H,5-6,9H2,(H,25,26)(H2,24,27,28)/t12-/m1/s1
InChIKeyHMTONINGPPWBEN-GFCCVEGCSA-N
MW414.30 g/mol
LogP4.15
Rot. Bonds3

About 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one

6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one (PubChem CID 136599580) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
PubChem CID136599580
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CCNC2)c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C20H17Cl2N5O/c21-10-1-3-14-13(7-10)18(24-12-5-6-23-9-12)17(20(28)27-14)19-25-15-4-2-11(22)8-16(15)26-19/h1-4,7-8,12,23H,5-6,9H2,(H,25,26)(H2,24,27,28)/t12-/m1/s1
InChIKeyHMTONINGPPWBEN-GFCCVEGCSA-N
XLogP4.15
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 169493736
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
3-(6-fluoro-1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 89453325
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
3-(6-chloro-1H-benzimidazol-2-yl)-6,7-difluoro-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 89453920
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-7-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 68621837
6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 137297808
6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one
CID 142866348
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
CID 139985105
6-[6-[2-(methylamino)ethylamino]-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 166802762
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(6-hydroxy-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 135520151

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one (CID 136599580) is 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CCNC2)c1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one?
The InChIKey is HMTONINGPPWBEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c21-10-1-3-14-13(7-10)18(24-12-5-6-23-9-12)17(20(28)27-14)19-25-15-4-2-11(22)8-16(15)26-19/h1-4,7-8,12,23H,5-6,9H2,(H,25,26)(H2,24,27,28)/t12-/m1/s1.
What are the key properties of 6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one?
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one has a molecular weight of 414.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 4 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)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 136599580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).