1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

C22H20ClN5O2 — CID 134364268

IUPAC1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C22H20ClN5O2/c1-13-26-21-18(22(24)29)10-16(27-4-6-30-7-5-27)11-20(21)28(13)17-8-14-2-3-15(23)9-19(14)25-12-17/h2-3,8-12H,4-7H2,1H3,(H2,24,29)
InChIKeyGZKRNEUJOYDNPI-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.47
Rot. Bonds3

About 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134364268) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134364268
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C22H20ClN5O2/c1-13-26-21-18(22(24)29)10-16(27-4-6-30-7-5-27)11-20(21)28(13)17-8-14-2-3-15(23)9-19(14)25-12-17/h2-3,8-12H,4-7H2,1H3,(H2,24,29)
InChIKeyGZKRNEUJOYDNPI-UHFFFAOYSA-N
XLogP3.47
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
N'-methanimidoyl-2-methyl-6-morpholin-4-yl-1-quinolin-3-ylbenzimidazole-4-carboximidamide
CID 142311459
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708
1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
CID 134362043

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134364268) is 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cnc2cc(Cl)ccc2c1.
What is the InChIKey of 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is GZKRNEUJOYDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-13-26-21-18(22(24)29)10-16(27-4-6-30-7-5-27)11-20(21)28(13)17-8-14-2-3-15(23)9-19(14)25-12-17/h2-3,8-12H,4-7H2,1H3,(H2,24,29).
What are the key properties of 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134364268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).