6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one

C13H17N3O — CID 115256369

IUPAC6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1(N)CC1
InChIInChI=1S/C13H17N3O/c14-10-2-3-11-9(7-10)1-4-12(17)16(11)8-13(15)5-6-13/h2-3,7H,1,4-6,8,14-15H2
InChIKeyXMBFACGUSMBDRZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds2

About 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one

6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 115256369) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID115256369
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1(N)CC1
InChIInChI=1S/C13H17N3O/c14-10-2-3-11-9(7-10)1-4-12(17)16(11)8-13(15)5-6-13/h2-3,7H,1,4-6,8,14-15H2
InChIKeyXMBFACGUSMBDRZ-UHFFFAOYSA-N
XLogP1.04
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
CID 125483451
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242
6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
CID 79227394
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one (CID 115256369) is 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CC1(N)CC1.
What is the InChIKey of 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is XMBFACGUSMBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-2-3-11-9(7-10)1-4-12(17)16(11)8-13(15)5-6-13/h2-3,7H,1,4-6,8,14-15H2.
What are the key properties of 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115256369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).