6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one

C20H16Cl2FN5O — CID 169493736

IUPAC6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NC2CCNC2)c1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C20H16Cl2FN5O/c21-9-1-2-14-11(5-9)18(25-10-3-4-24-8-10)17(20(29)28-14)19-26-15-6-12(22)13(23)7-16(15)27-19/h1-2,5-7,10,24H,3-4,8H2,(H,26,27)(H2,25,28,29)
InChIKeyIZCUGNFLXWORID-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one

6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one (PubChem CID 169493736) has the molecular formula C20H16Cl2FN5O and a molecular weight of 432.29 g/mol. Its IUPAC name is 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
PubChem CID169493736
Molecular FormulaC20H16Cl2FN5O
Molecular Weight432.29 g/mol
Exact Mass431.07
IUPAC Name6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NC2CCNC2)c1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C20H16Cl2FN5O/c21-9-1-2-14-11(5-9)18(25-10-3-4-24-8-10)17(20(29)28-14)19-26-15-6-12(22)13(23)7-16(15)27-19/h1-2,5-7,10,24H,3-4,8H2,(H,26,27)(H2,25,28,29)
InChIKeyIZCUGNFLXWORID-UHFFFAOYSA-N
XLogP4.29
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 136599580
3-(6-fluoro-1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 89453325
3-(6-chloro-1H-benzimidazol-2-yl)-6,7-difluoro-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 89453920
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one
CID 142866348
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-[6-[2-(methylamino)ethylamino]-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 166802762
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-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
CID 139985105
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one (CID 169493736) is 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(NC2CCNC2)c1-c1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
The InChIKey is IZCUGNFLXWORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN5O/c21-9-1-2-14-11(5-9)18(25-10-3-4-24-8-10)17(20(29)28-14)19-26-15-6-12(22)13(23)7-16(15)27-19/h1-2,5-7,10,24H,3-4,8H2,(H,26,27)(H2,25,28,29).
What are the key properties of 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one?
6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one has a molecular weight of 432.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one is sourced from PubChem (CID 169493736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).