N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

C25H25N3O3 — CID 92638945

IUPACN-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@H]2CN(Cc3oc4ccccc4c3C)CCO2)nc2ccccc12
InChIInChI=1S/C25H25N3O3/c1-16-17-7-4-6-10-22(17)31-23(16)14-28-11-12-30-24(15-28)21-13-19(25(29)26-2)18-8-3-5-9-20(18)27-21/h3-10,13,24H,11-12,14-15H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyYSSXDDICCURBOC-XMMPIXPASA-N
MW415.49 g/mol
LogP4.22
Rot. Bonds4

About N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92638945) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92638945
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@H]2CN(Cc3oc4ccccc4c3C)CCO2)nc2ccccc12
InChIInChI=1S/C25H25N3O3/c1-16-17-7-4-6-10-22(17)31-23(16)14-28-11-12-30-24(15-28)21-13-19(25(29)26-2)18-8-3-5-9-20(18)27-21/h3-10,13,24H,11-12,14-15H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyYSSXDDICCURBOC-XMMPIXPASA-N
XLogP4.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92639052
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251822
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92639058
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638425
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874
2-[(2R)-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638378
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (CID 92638945) is N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is CNC(=O)c1cc([C@H]2CN(Cc3oc4ccccc4c3C)CCO2)nc2ccccc12.
What is the InChIKey of N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is YSSXDDICCURBOC-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-17-7-4-6-10-22(17)31-23(16)14-28-11-12-30-24(15-28)21-13-19(25(29)26-2)18-8-3-5-9-20(18)27-21/h3-10,13,24H,11-12,14-15H2,1-2H3,(H,26,29)/t24-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).