1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C21H23N5O — CID 148785687

IUPAC1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3=CCN=N3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C21H23N5O/c1-13-4-7-21(22-12-13)24-19-10-14(2)26(15(3)27)20-6-5-16(11-17(19)20)18-8-9-23-25-18/h4-8,11-12,14,19H,9-10H2,1-3H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyOLEBTHCSZYTFHW-IFXJQAMLSA-N
MW361.45 g/mol
LogP4.50
Rot. Bonds3

About 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 148785687) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID148785687
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3=CCN=N3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C21H23N5O/c1-13-4-7-21(22-12-13)24-19-10-14(2)26(15(3)27)20-6-5-16(11-17(19)20)18-8-9-23-25-18/h4-8,11-12,14,19H,9-10H2,1-3H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyOLEBTHCSZYTFHW-IFXJQAMLSA-N
XLogP4.50
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67207683
1-[(2R,4S)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52932799
1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71467941
1-[2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 77240819
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-[(5-nitro-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 70976485
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
[1-[4-[(2S,4R)-1-acetyl-4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]-3-phenylpropan-2-yl]carbamic acid
CID 67207668
4-[[1-acetyl-2-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzonitrile;ethane
CID 176970174
1-[(2S,4R)-6-[1-(2-hydroxyethyl)triazol-4-yl]-2-methyl-4-[(4-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52936010
ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 135259712
6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 67205432

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 148785687) is 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(C3=CCN=N3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is OLEBTHCSZYTFHW-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-4-7-21(22-12-13)24-19-10-14(2)26(15(3)27)20-6-5-16(11-17(19)20)18-8-9-23-25-18/h4-8,11-12,14,19H,9-10H2,1-3H3,(H,22,24)/t14-,19+/m0/s1.
What are the key properties of 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 148785687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).