6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one

C13H16N2O — CID 60774268

IUPAC6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C13H16N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h4-5,7,9H,1-3,6,8,14H2
InChIKeyWNOIXLXOSIYWCF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds2

About 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one

6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 60774268) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID60774268
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C13H16N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h4-5,7,9H,1-3,6,8,14H2
InChIKeyWNOIXLXOSIYWCF-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one (CID 60774268) is 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CC1CC1.
What is the InChIKey of 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is WNOIXLXOSIYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h4-5,7,9H,1-3,6,8,14H2.
What are the key properties of 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(cyclopropylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 60774268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).