2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline

C30H22BrClN4O — CID 71906211

IUPAC2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C(c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C30H22BrClN4O/c1-37-24-9-5-8-21(16-24)27-18-28(19-10-12-22(31)13-11-19)36(35-27)30-33-26-15-14-23(32)17-25(26)29(34-30)20-6-3-2-4-7-20/h2-17,28H,18H2,1H3
InChIKeyQUOZFEPBAZJHOJ-UHFFFAOYSA-N
MW569.89 g/mol
LogP8.08
Rot. Bonds5

About 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline

2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline (PubChem CID 71906211) has the molecular formula C30H22BrClN4O and a molecular weight of 569.89 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
PubChem CID71906211
Molecular FormulaC30H22BrClN4O
Molecular Weight569.89 g/mol
Exact Mass568.07
IUPAC Name2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
SMILESCOc1cccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C(c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C30H22BrClN4O/c1-37-24-9-5-8-21(16-24)27-18-28(19-10-12-22(31)13-11-19)36(35-27)30-33-26-15-14-23(32)17-25(26)29(34-30)20-6-3-2-4-7-20/h2-17,28H,18H2,1H3
InChIKeyQUOZFEPBAZJHOJ-UHFFFAOYSA-N
XLogP8.08
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.89
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98326761
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 71906210
2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97063960
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3778309
2-[(3R)-5-(3-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98257611
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
6-chloro-2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97354079
4-[2-(6-chloro-4-phenylquinazolin-2-yl)-5-(3-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71906214
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 98363081
2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 4320040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline (CID 71906211) is 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline is COc1cccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C(c3ccc(Br)cc3)C2)c1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
The InChIKey is QUOZFEPBAZJHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrClN4O/c1-37-24-9-5-8-21(16-24)27-18-28(19-10-12-22(31)13-11-19)36(35-27)30-33-26-15-14-23(32)17-25(26)29(34-30)20-6-3-2-4-7-20/h2-17,28H,18H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline?
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline has a molecular weight of 569.89 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline is sourced from PubChem (CID 71906211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).