1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one

C21H25N3O — CID 164630282

IUPAC1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one
SMILESCc1cncc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1
InChIInChI=1S/C21H25N3O/c1-14-9-18(12-22-11-14)15(2)23-19-6-7-20-17(10-19)5-8-21(25)24(20)13-16-3-4-16/h6-7,9-12,15-16,23H,3-5,8,13H2,1-2H3/t15-/m0/s1
InChIKeyXKJHDMMHTFWGEQ-HNNXBMFYSA-N
MW335.45 g/mol
LogP4.25
Rot. Bonds5

About 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one

1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one (PubChem CID 164630282) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one
PubChem CID164630282
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one
SMILESCc1cncc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1
InChIInChI=1S/C21H25N3O/c1-14-9-18(12-22-11-14)15(2)23-19-6-7-20-17(10-19)5-8-21(25)24(20)13-16-3-4-16/h6-7,9-12,15-16,23H,3-5,8,13H2,1-2H3/t15-/m0/s1
InChIKeyXKJHDMMHTFWGEQ-HNNXBMFYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
CID 122090477
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
CID 91244258
1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 127927248
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 166226331
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one
CID 75506681
1-ethyl-6-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459295
1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459382
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one (CID 164630282) is 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one is Cc1cncc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one?
The InChIKey is XKJHDMMHTFWGEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-9-18(12-22-11-14)15(2)23-19-6-7-20-17(10-19)5-8-21(25)24(20)13-16-3-4-16/h6-7,9-12,15-16,23H,3-5,8,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one?
1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one has a molecular weight of 335.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-[[(1S)-1-(5-methyl-3-pyridinyl)ethyl]amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 164630282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).