8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one

C14H18N2O — CID 83894368

IUPAC8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(CC(C)CN)cccc12
InChIInChI=1S/C14H18N2O/c1-9(8-15)6-11-4-3-5-12-10(2)7-13(17)16-14(11)12/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyXKIUZVPQAAHJQD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds3

About 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one

8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one (PubChem CID 83894368) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one
PubChem CID83894368
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(CC(C)CN)cccc12
InChIInChI=1S/C14H18N2O/c1-9(8-15)6-11-4-3-5-12-10(2)7-13(17)16-14(11)12/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17)
InChIKeyXKIUZVPQAAHJQD-UHFFFAOYSA-N
XLogP1.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
CID 119995371
3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83868277
N-(3-amino-2-methylpropyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119995370
4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
CID 165472389
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
(8-methyl-2-oxo-1H-quinolin-4-yl)methylthiourea
CID 23661256

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one (CID 83894368) is 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2c(CC(C)CN)cccc12.
What is the InChIKey of 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is XKIUZVPQAAHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(8-15)6-11-4-3-5-12-10(2)7-13(17)16-14(11)12/h3-5,7,9H,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one?
8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 83894368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).