6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one

C21H18N4O2 — CID 68936212

IUPAC6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)ncn1
InChIInChI=1S/C21H18N4O2/c22-16(8-13-4-2-1-3-5-13)19-10-18(23-12-24-19)14-6-7-17-15(9-14)20(26)11-21(27)25-17/h1-7,9-12,16H,8,22H2,(H2,25,26,27)
InChIKeyPMLNOUYEKSRELO-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.93
Rot. Bonds4

About 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one

6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 68936212) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one
PubChem CID68936212
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)ncn1
InChIInChI=1S/C21H18N4O2/c22-16(8-13-4-2-1-3-5-13)19-10-18(23-12-24-19)14-6-7-17-15(9-14)20(26)11-21(27)25-17/h1-7,9-12,16H,8,22H2,(H2,25,26,27)
InChIKeyPMLNOUYEKSRELO-UHFFFAOYSA-N
XLogP2.93
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-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-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one (CID 68936212) is 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one is NC(Cc1ccccc1)c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)ncn1.
What is the InChIKey of 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is PMLNOUYEKSRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-16(8-13-4-2-1-3-5-13)19-10-18(23-12-24-19)14-6-7-17-15(9-14)20(26)11-21(27)25-17/h1-7,9-12,16H,8,22H2,(H2,25,26,27).
What are the key properties of 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one?
6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 358.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-amino-2-phenylethyl)pyrimidin-4-yl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 68936212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).