4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline

C30H22ClFN4 — CID 99797624

IUPAC4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESCc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@@H](c3cccc(F)c3)C2)c1
InChIInChI=1S/C30H22ClFN4/c1-19-6-4-7-21(16-19)27-18-28(22-8-5-9-24(32)17-22)36(35-27)30-33-26-11-3-2-10-25(26)29(34-30)20-12-14-23(31)15-13-20/h2-17,28H,18H2,1H3/t28-/m1/s1
InChIKeyMHJCMGYGUBJRIU-MUUNZHRXSA-N
MW492.99 g/mol
LogP7.75
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline

4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline (PubChem CID 99797624) has the molecular formula C30H22ClFN4 and a molecular weight of 492.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
PubChem CID99797624
Molecular FormulaC30H22ClFN4
Molecular Weight492.99 g/mol
Exact Mass492.15
IUPAC Name4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESCc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@@H](c3cccc(F)c3)C2)c1
InChIInChI=1S/C30H22ClFN4/c1-19-6-4-7-21(16-19)27-18-28(22-8-5-9-24(32)17-22)36(35-27)30-33-26-11-3-2-10-25(26)29(34-30)20-12-14-23(31)15-13-20/h2-17,28H,18H2,1H3/t28-/m1/s1
InChIKeyMHJCMGYGUBJRIU-MUUNZHRXSA-N
XLogP7.75
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline with MolForge

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Related Compounds

2-[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 99797583
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 71906210
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
4-[2-(6-chloro-4-phenylquinazolin-2-yl)-5-(3-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71906214
2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 98363081
2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97063960
2-[(3S)-3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98363082
2-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 47085379
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98326761

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The IUPAC name of 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline (CID 99797624) is 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline is Cc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@@H](c3cccc(F)c3)C2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The InChIKey is MHJCMGYGUBJRIU-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H22ClFN4/c1-19-6-4-7-21(16-19)27-18-28(22-8-5-9-24(32)17-22)36(35-27)30-33-26-11-3-2-10-25(26)29(34-30)20-12-14-23(31)15-13-20/h2-17,28H,18H2,1H3/t28-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline has a molecular weight of 492.99 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline is sourced from PubChem (CID 99797624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).