2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide

C21H23N5O2 — CID 92638338

IUPAC2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-13-10-14(2)24-21(23-13)26-8-9-28-19(12-26)18-11-16(20(27)22-3)15-6-4-5-7-17(15)25-18/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyPKQSLICLISRMTL-IBGZPJMESA-N
MW377.45 g/mol
LogP2.58
Rot. Bonds3

About 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide

2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide (PubChem CID 92638338) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
PubChem CID92638338
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)nc2ccccc12
InChIInChI=1S/C21H23N5O2/c1-13-10-14(2)24-21(23-13)26-8-9-28-19(12-26)18-11-16(20(27)22-3)15-6-4-5-7-17(15)25-18/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,22,27)/t19-/m0/s1
InChIKeyPKQSLICLISRMTL-IBGZPJMESA-N
XLogP2.58
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251822
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945
N-methyl-2-[4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251792
5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 127250654
5-[6-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 125013491
N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92639052
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638584
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide (CID 92638338) is 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1cc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is PKQSLICLISRMTL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-10-14(2)24-21(23-13)26-8-9-28-19(12-26)18-11-16(20(27)22-3)15-6-4-5-7-17(15)25-18/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,22,27)/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide?
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 92638338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).