2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

C25H27N5O2 — CID 92638378

IUPAC2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)n1c(CN2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)nc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-16(2)30-22-10-6-5-9-20(22)28-24(30)15-29-11-12-32-23(14-29)21-13-18(25(26)31)17-7-3-4-8-19(17)27-21/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H2,26,31)/t23-/m1/s1
InChIKeyIXFZOSOSMMUFEK-HSZRJFAPSA-N
MW429.52 g/mol
LogP3.84
Rot. Bonds5

About 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638378) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638378
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCC(C)n1c(CN2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)nc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-16(2)30-22-10-6-5-9-20(22)28-24(30)15-29-11-12-32-23(14-29)21-13-18(25(26)31)17-7-3-4-8-19(17)27-21/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H2,26,31)/t23-/m1/s1
InChIKeyIXFZOSOSMMUFEK-HSZRJFAPSA-N
XLogP3.84
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638963
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
CID 127251158
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945
(1S,5R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122559237
N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 155984933
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
morpholin-4-yl-[2-[(2S)-4-propylmorpholin-2-yl]quinolin-4-yl]methanone
CID 92639103
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
2-[4-(5-propyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251986
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (CID 92638378) is 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is CC(C)n1c(CN2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)nc2ccccc21.
What is the InChIKey of 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is IXFZOSOSMMUFEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16(2)30-22-10-6-5-9-20(22)28-24(30)15-29-11-12-32-23(14-29)21-13-18(25(26)31)17-7-3-4-8-19(17)27-21/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H2,26,31)/t23-/m1/s1.
What are the key properties of 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).