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

C29H23ClN4O2S — CID 3658207

IUPAC6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1cccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1OC
InChIInChI=1S/C29H23ClN4O2S/c1-35-25-11-6-10-20(28(25)36-2)24-17-23(26-12-7-15-37-26)33-34(24)29-31-22-14-13-19(30)16-21(22)27(32-29)18-8-4-3-5-9-18/h3-16,24H,17H2,1-2H3
InChIKeyFWPBXQSLMFBHNE-UHFFFAOYSA-N
MW527.05 g/mol
LogP7.38
Rot. Bonds6

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

6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 3658207) has the molecular formula C29H23ClN4O2S and a molecular weight of 527.05 g/mol. Its IUPAC name is 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID3658207
Molecular FormulaC29H23ClN4O2S
Molecular Weight527.05 g/mol
Exact Mass526.12
IUPAC Name6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCOc1cccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1OC
InChIInChI=1S/C29H23ClN4O2S/c1-35-25-11-6-10-20(28(25)36-2)24-17-23(26-12-7-15-37-26)33-34(24)29-31-22-14-13-19(30)16-21(22)27(32-29)18-8-4-3-5-9-18/h3-16,24H,17H2,1-2H3
InChIKeyFWPBXQSLMFBHNE-UHFFFAOYSA-N
XLogP7.38
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.05
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(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-[(3R)-3-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98159431
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
6-chloro-2-[3-(3-ethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 71906220
6-chloro-2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97354079
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
6-chloro-2-[(3R)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 41035430
6-chloro-2-[3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3592681
4-(4-chlorophenyl)-2-[5-(2-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]quinazoline
CID 86819995

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 3658207) is 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is COc1cccc(C2CC(c3cccs3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1OC.
What is the InChIKey of 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is FWPBXQSLMFBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O2S/c1-35-25-11-6-10-20(28(25)36-2)24-17-23(26-12-7-15-37-26)33-34(24)29-31-22-14-13-19(30)16-21(22)27(32-29)18-8-4-3-5-9-18/h3-16,24H,17H2,1-2H3.
What are the key properties of 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 527.05 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 3658207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).