N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

C25H25N5O2 — CID 92639052

IUPACN-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H25N5O2/c1-26-25(31)20-13-22(28-21-10-6-5-9-19(20)21)23-16-30(11-12-32-23)15-18-14-27-29-24(18)17-7-3-2-4-8-17/h2-10,13-14,23H,11-12,15-16H2,1H3,(H,26,31)(H,27,29)/t23-/m0/s1
InChIKeyBKCNGFRPVPRMDZ-QHCPKHFHSA-N
MW427.51 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide

N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (PubChem CID 92639052) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
PubChem CID92639052
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1cc([C@@H]2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H25N5O2/c1-26-25(31)20-13-22(28-21-10-6-5-9-19(20)21)23-16-30(11-12-32-23)15-18-14-27-29-24(18)17-7-3-2-4-8-17/h2-10,13-14,23H,11-12,15-16H2,1H3,(H,26,31)(H,27,29)/t23-/m0/s1
InChIKeyBKCNGFRPVPRMDZ-QHCPKHFHSA-N
XLogP3.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
4-methyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844361
N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113015
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
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-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide (CID 92639052) is N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is CNC(=O)c1cc([C@@H]2CN(Cc3cn[nH]c3-c3ccccc3)CCO2)nc2ccccc12.
What is the InChIKey of N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
The InChIKey is BKCNGFRPVPRMDZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-26-25(31)20-13-22(28-21-10-6-5-9-19(20)21)23-16-30(11-12-32-23)15-18-14-27-29-24(18)17-7-3-2-4-8-17/h2-10,13-14,23H,11-12,15-16H2,1H3,(H,26,31)(H,27,29)/t23-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide?
N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92639052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).