2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

C25H24N4O3 — CID 137214950

IUPAC2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(c1ccc(Cc2nc3cnccc3c(=O)[nH]2)cc1)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C25H24N4O3/c1-29(19-6-8-20(9-7-19)32-21-11-13-31-16-21)18-4-2-17(3-5-18)14-24-27-23-15-26-12-10-22(23)25(30)28-24/h2-10,12,15,21H,11,13-14,16H2,1H3,(H,27,28,30)
InChIKeyAVXOREDRKSDPNL-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.84
Rot. Bonds6

About 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137214950) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137214950
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN(c1ccc(Cc2nc3cnccc3c(=O)[nH]2)cc1)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C25H24N4O3/c1-29(19-6-8-20(9-7-19)32-21-11-13-31-16-21)18-4-2-17(3-5-18)14-24-27-23-15-26-12-10-22(23)25(30)28-24/h2-10,12,15,21H,11,13-14,16H2,1H3,(H,27,28,30)
InChIKeyAVXOREDRKSDPNL-UHFFFAOYSA-N
XLogP3.84
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-[4-(4-aminopiperidin-1-yl)-N-methylanilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137482037
2-[[4-[4-(1-methoxypropan-2-yl)-N-methylanilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137072374
2-[4-(N-methyl-4-propylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002339
2-[4-[4-(1-methoxyethyl)-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002387
2-[4-(N-methyl-4-propoxyanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 166924385
2-[4-[N-(cyclopropylmethyl)-4-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953255
2-methyl-6-[(3S)-oxolan-3-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 165178715
2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137072362
2-[4-[4-[(2R)-butan-2-yl]-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002372
2-[4-[(4-fluorophenyl)methyl-methylamino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953335
2-[4-(4-methoxy-N-methylanilino)-2-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137014294
2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137231257

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137214950) is 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is CN(c1ccc(Cc2nc3cnccc3c(=O)[nH]2)cc1)c1ccc(OC2CCOC2)cc1.
What is the InChIKey of 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AVXOREDRKSDPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-29(19-6-8-20(9-7-19)32-21-11-13-31-16-21)18-4-2-17(3-5-18)14-24-27-23-15-26-12-10-22(23)25(30)28-24/h2-10,12,15,21H,11,13-14,16H2,1H3,(H,27,28,30).
What are the key properties of 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 428.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137214950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).