2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

C30H24N4O — CID 97063960

IUPAC2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C30H24N4O/c1-35-24-16-10-15-23(19-24)27-20-28(21-11-4-2-5-12-21)34(33-27)30-31-26-18-9-8-17-25(26)29(32-30)22-13-6-3-7-14-22/h2-19,28H,20H2,1H3/t28-/m0/s1
InChIKeyVMLHLVVJZBYTBR-NDEPHWFRSA-N
MW456.55 g/mol
LogP6.66
Rot. Bonds5

About 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 97063960) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID97063960
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C30H24N4O/c1-35-24-16-10-15-23(19-24)27-20-28(21-11-4-2-5-12-21)34(33-27)30-31-26-18-9-8-17-25(26)29(32-30)22-13-6-3-7-14-22/h2-19,28H,20H2,1H3/t28-/m0/s1
InChIKeyVMLHLVVJZBYTBR-NDEPHWFRSA-N
XLogP6.66
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline 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

4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 71906210
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 98363081
2-[5-(4-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)quinazoline
CID 3121120
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
2-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 47085379
2-[(3S)-3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98363082
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98326761
4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797624
2-[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 99797583

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 97063960) is 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is COc1cccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is VMLHLVVJZBYTBR-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H24N4O/c1-35-24-16-10-15-23(19-24)27-20-28(21-11-4-2-5-12-21)34(33-27)30-31-26-18-9-8-17-25(26)29(32-30)22-13-6-3-7-14-22/h2-19,28H,20H2,1H3/t28-/m0/s1.
What are the key properties of 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 456.55 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 97063960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).