1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide

C24H19ClN6O3 — CID 134362043

IUPAC1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)cc2c1nc(-c1cnco1)n2-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C24H19ClN6O3/c25-17-3-1-2-15-18(4-5-28-21(15)17)31-19-11-14(30-6-8-33-9-7-30)10-16(23(26)32)22(19)29-24(31)20-12-27-13-34-20/h1-5,10-13H,6-9H2,(H2,26,32)
InChIKeyKLAKVEWRCVNAPR-UHFFFAOYSA-N
MW474.91 g/mol
LogP3.82
Rot. Bonds4

About 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide

1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide (PubChem CID 134362043) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
PubChem CID134362043
Molecular FormulaC24H19ClN6O3
Molecular Weight474.91 g/mol
Exact Mass474.12
IUPAC Name1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)cc2c1nc(-c1cnco1)n2-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C24H19ClN6O3/c25-17-3-1-2-15-18(4-5-28-21(15)17)31-19-11-14(30-6-8-33-9-7-30)10-16(23(26)32)22(19)29-24(31)20-12-27-13-34-20/h1-5,10-13H,6-9H2,(H2,26,32)
InChIKeyKLAKVEWRCVNAPR-UHFFFAOYSA-N
XLogP3.82
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
4-[3-(8-chloroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-3-ylbenzimidazol-5-yl]morpholine
CID 134371748
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide?
The IUPAC name of 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide (CID 134362043) is 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide is NC(=O)c1cc(N2CCOCC2)cc2c1nc(-c1cnco1)n2-c1ccnc2c(Cl)cccc12.
What is the InChIKey of 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide?
The InChIKey is KLAKVEWRCVNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c25-17-3-1-2-15-18(4-5-28-21(15)17)31-19-11-14(30-6-8-33-9-7-30)10-16(23(26)32)22(19)29-24(31)20-12-27-13-34-20/h1-5,10-13H,6-9H2,(H2,26,32).
What are the key properties of 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide?
1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134362043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).