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

C30H22ClFN4O — CID 71906210

IUPAC4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C30H22ClFN4O/c1-37-24-6-4-5-21(17-24)27-18-28(19-11-15-23(32)16-12-19)36(35-27)30-33-26-8-3-2-7-25(26)29(34-30)20-9-13-22(31)14-10-20/h2-17,28H,18H2,1H3
InChIKeyVPLQPLXAGYOWMS-UHFFFAOYSA-N
MW508.98 g/mol
LogP7.45
Rot. Bonds5

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

4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline (PubChem CID 71906210) has the molecular formula C30H22ClFN4O and a molecular weight of 508.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
PubChem CID71906210
Molecular FormulaC30H22ClFN4O
Molecular Weight508.98 g/mol
Exact Mass508.15
IUPAC Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C30H22ClFN4O/c1-37-24-6-4-5-21(17-24)27-18-28(19-11-15-23(32)16-12-19)36(35-27)30-33-26-8-3-2-7-25(26)29(34-30)20-9-13-22(31)14-10-20/h2-17,28H,18H2,1H3
InChIKeyVPLQPLXAGYOWMS-UHFFFAOYSA-N
XLogP7.45
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97063960
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211
4-(4-chlorophenyl)-2-[(3R)-3-(3-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797624
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 98363081
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
2-[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 99797583
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]-6-chloro-4-phenylquinazoline
CID 98326761
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3778309
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
6-chloro-2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97354079

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline (CID 71906210) is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline is COc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)C(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
The InChIKey is VPLQPLXAGYOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClFN4O/c1-37-24-6-4-5-21(17-24)27-18-28(19-11-15-23(32)16-12-19)36(35-27)30-33-26-8-3-2-7-25(26)29(34-30)20-9-13-22(31)14-10-20/h2-17,28H,18H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline?
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline has a molecular weight of 508.98 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline is sourced from PubChem (CID 71906210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).