3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one

C16H20N2O — CID 103700259

IUPAC3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)(NCc1cc2ccccc2[nH]c1=O)C1CC1
InChIInChI=1S/C16H20N2O/c1-16(2,13-7-8-13)17-10-12-9-11-5-3-4-6-14(11)18-15(12)19/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOSSCFTPTVIDESG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.81
Rot. Bonds4

About 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one

3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 103700259) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
PubChem CID103700259
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCC(C)(NCc1cc2ccccc2[nH]c1=O)C1CC1
InChIInChI=1S/C16H20N2O/c1-16(2,13-7-8-13)17-10-12-9-11-5-3-4-6-14(11)18-15(12)19/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOSSCFTPTVIDESG-UHFFFAOYSA-N
XLogP2.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylquinolin-2-ol
CID 69088
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
4-Amino-1,2-dihydroquinolin-2-one
CID 459666
3-methylquinolin-2(1H)-one
CID 440987
Isonixin
CID 68767
4-(Aminomethyl)-1,2-dihydroquinolin-2-one
CID 14816728
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-[[(3R,4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinolin-3-yl]methyl]propanamide
CID 137631636
N-[(1-ethyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137636079
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 771787
3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 772589
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one (CID 103700259) is 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one is CC(C)(NCc1cc2ccccc2[nH]c1=O)C1CC1.
What is the InChIKey of 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is OSSCFTPTVIDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,13-7-8-13)17-10-12-9-11-5-3-4-6-14(11)18-15(12)19/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one?
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103700259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).