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

C28H21ClN4OS — CID 3778309

IUPAC6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C28H21ClN4OS/c1-34-21-12-9-18(10-13-21)25-17-24(26-8-5-15-35-26)32-33(25)28-30-23-14-11-20(29)16-22(23)27(31-28)19-6-3-2-4-7-19/h2-16,25H,17H2,1H3
InChIKeyNSJBFZMGWAFLAI-UHFFFAOYSA-N
MW497.02 g/mol
LogP7.38
Rot. Bonds5

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

6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 3778309) has the molecular formula C28H21ClN4OS and a molecular weight of 497.02 g/mol. Its IUPAC name is 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID3778309
Molecular FormulaC28H21ClN4OS
Molecular Weight497.02 g/mol
Exact Mass496.11
IUPAC Name6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C28H21ClN4OS/c1-34-21-12-9-18(10-13-21)25-17-24(26-8-5-15-35-26)32-33(25)28-30-23-14-11-20(29)16-22(23)27(31-28)19-6-3-2-4-7-19/h2-16,25H,17H2,1H3
InChIKeyNSJBFZMGWAFLAI-UHFFFAOYSA-N
XLogP7.38
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline with MolForge

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Related Compounds

6-chloro-2-[(3R)-3-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98257508
6-chloro-2-[3-(3-ethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 71906220
6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3658207
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211
6-chloro-2-[(3R)-3-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98159431
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
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
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 71906210

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 3778309) is 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is COc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is NSJBFZMGWAFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4OS/c1-34-21-12-9-18(10-13-21)25-17-24(26-8-5-15-35-26)32-33(25)28-30-23-14-11-20(29)16-22(23)27(31-28)19-6-3-2-4-7-19/h2-16,25H,17H2,1H3.
What are the key properties of 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 497.02 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 3778309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).