6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one

C14H16N2O — CID 116997657

IUPAC6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C3(CN)CC3)ccc2[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-9-6-10-7-11(14(8-15)4-5-14)2-3-12(10)16-13(9)17/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)
InChIKeyVZEGQWSIBBGVDQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.83
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one

6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one (PubChem CID 116997657) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
PubChem CID116997657
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(C3(CN)CC3)ccc2[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-9-6-10-7-11(14(8-15)4-5-14)2-3-12(10)16-13(9)17/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)
InChIKeyVZEGQWSIBBGVDQ-UHFFFAOYSA-N
XLogP1.83
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
6-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-1H-quinolin-2-one
CID 116997581
6-(3-amino-2-methylpropyl)-3-methyl-1H-quinolin-2-one
CID 116997516
7-[1-(aminomethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994640
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
6,7-dichloro-3-methyl-1H-quinolin-2-one
CID 15091486
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
CID 117303212
6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
CID 117330714
3-methyl-1H-benzo[g]quinolin-2-one
CID 18347999

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one (CID 116997657) is 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one is Cc1cc2cc(C3(CN)CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one?
The InChIKey is VZEGQWSIBBGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-6-10-7-11(14(8-15)4-5-14)2-3-12(10)16-13(9)17/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17).
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one?
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 116997657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).