6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C15H21N3O2 — CID 115964853

IUPAC6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(O)C1CCN(c2cc3c(cc2N)CCC(=O)N3)C1
InChIInChI=1S/C15H21N3O2/c1-9(19)11-4-5-18(8-11)14-7-13-10(6-12(14)16)2-3-15(20)17-13/h6-7,9,11,19H,2-5,8,16H2,1H3,(H,17,20)
InChIKeyFUNVNROQDITTDZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds2

About 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115964853) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115964853
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(O)C1CCN(c2cc3c(cc2N)CCC(=O)N3)C1
InChIInChI=1S/C15H21N3O2/c1-9(19)11-4-5-18(8-11)14-7-13-10(6-12(14)16)2-3-15(20)17-13/h6-7,9,11,19H,2-5,8,16H2,1H3,(H,17,20)
InChIKeyFUNVNROQDITTDZ-UHFFFAOYSA-N
XLogP1.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 115964853) is 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is CC(O)C1CCN(c2cc3c(cc2N)CCC(=O)N3)C1.
What is the InChIKey of 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FUNVNROQDITTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(19)11-4-5-18(8-11)14-7-13-10(6-12(14)16)2-3-15(20)17-13/h6-7,9,11,19H,2-5,8,16H2,1H3,(H,17,20).
What are the key properties of 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115964853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).