4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one

C14H18N2O — CID 63553516

IUPAC4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCCC(C)NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-10(2)15-9-11-8-14(17)16-13-7-5-4-6-12(11)13/h4-8,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyUMHASCLXUQHIDV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds4

About 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one

4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 63553516) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
PubChem CID63553516
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
SMILESCCC(C)NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-10(2)15-9-11-8-14(17)16-13-7-5-4-6-12(11)13/h4-8,10,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyUMHASCLXUQHIDV-UHFFFAOYSA-N
XLogP2.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524
methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
CID 7061139
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
4-(methylsulfanylmethyl)-1H-quinolin-2-one
CID 15269617
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786

Frequently Asked Questions

What is the IUPAC name of 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one (CID 63553516) is 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one is CCC(C)NCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is UMHASCLXUQHIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10(2)15-9-11-8-14(17)16-13-7-5-4-6-12(11)13/h4-8,10,15H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one?
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 63553516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).