6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one

C16H17N3O — CID 117041603

IUPAC6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
SMILESNCc1ccc(N2C(=O)CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3O/c17-10-11-1-5-14(6-2-11)19-15-7-4-13(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10,17-18H2
InChIKeyIPCDQVSKZKIEMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.34
Rot. Bonds2

About 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one

6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one (PubChem CID 117041603) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
PubChem CID117041603
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
SMILESNCc1ccc(N2C(=O)CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3O/c17-10-11-1-5-14(6-2-11)19-15-7-4-13(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10,17-18H2
InChIKeyIPCDQVSKZKIEMI-UHFFFAOYSA-N
XLogP2.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-[4-(aminomethyl)phenyl]-1,4-benzoxazin-3-one
CID 117041604
6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one
CID 115125297
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
CID 117041354
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 157053560
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one (CID 117041603) is 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one is NCc1ccc(N2C(=O)CCc3cc(N)ccc32)cc1.
What is the InChIKey of 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one?
The InChIKey is IPCDQVSKZKIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-10-11-1-5-14(6-2-11)19-15-7-4-13(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10,17-18H2.
What are the key properties of 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117041603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).