6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline

C30H24N4O4S2 — CID 178107748

IUPAC6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline
SMILESCOc1cc2c(-c3ccsc3)nc(-n3cc(-c4ccc(S(C)(=O)=O)cc4)cn3)nc2cc1OCc1ccccc1
InChIInChI=1S/C30H24N4O4S2/c1-37-27-14-25-26(15-28(27)38-18-20-6-4-3-5-7-20)32-30(33-29(25)22-12-13-39-19-22)34-17-23(16-31-34)21-8-10-24(11-9-21)40(2,35)36/h3-17,19H,18H2,1-2H3
InChIKeyFRAOPTKEPRSYNH-UHFFFAOYSA-N
MW568.68 g/mol
LogP6.20
Rot. Bonds8

About 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline

6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline (PubChem CID 178107748) has the molecular formula C30H24N4O4S2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline
PubChem CID178107748
Molecular FormulaC30H24N4O4S2
Molecular Weight568.68 g/mol
Exact Mass568.12
IUPAC Name6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline
SMILESCOc1cc2c(-c3ccsc3)nc(-n3cc(-c4ccc(S(C)(=O)=O)cc4)cn3)nc2cc1OCc1ccccc1
InChIInChI=1S/C30H24N4O4S2/c1-37-27-14-25-26(15-28(27)38-18-20-6-4-3-5-7-20)32-30(33-29(25)22-12-13-39-19-22)34-17-23(16-31-34)21-8-10-24(11-9-21)40(2,35)36/h3-17,19H,18H2,1-2H3
InChIKeyFRAOPTKEPRSYNH-UHFFFAOYSA-N
XLogP6.20
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[1-(6,7-dimethoxy-4-thiophen-3-ylquinazolin-2-yl)pyrazol-4-yl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 162728408
[4-[1-[4-[6-(dimethylamino)-3-pyridinyl]-6,7-dimethoxyquinazolin-2-yl]pyrazol-4-yl]phenyl]-oxosulfanium
CID 174198576
1-[4-[6,7-dimethoxy-2-(4-pyridin-3-ylpyrazol-1-yl)quinazolin-4-yl]phenyl]ethanone
CID 162728427
(1E,3Z)-2-[1-(6,7-dimethoxy-4-phenylquinazolin-2-yl)pyrazol-4-yl]-N,N-dimethylpenta-1,3-dien-1-amine
CID 162728437
6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 74250739
[4-(6,7-dimethoxy-4-phenylmethoxyquinazolin-2-yl)phenyl]methylphosphonic acid
CID 23214362
1-[4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435693
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
2-benzyl-4-(3-methoxy-2-pyridinyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 141008698
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 11433541

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline?
The IUPAC name of 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline (CID 178107748) is 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline.
What is the SMILES notation for 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline?
The canonical SMILES for 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline is COc1cc2c(-c3ccsc3)nc(-n3cc(-c4ccc(S(C)(=O)=O)cc4)cn3)nc2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline?
The InChIKey is FRAOPTKEPRSYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4S2/c1-37-27-14-25-26(15-28(27)38-18-20-6-4-3-5-7-20)32-30(33-29(25)22-12-13-39-19-22)34-17-23(16-31-34)21-8-10-24(11-9-21)40(2,35)36/h3-17,19H,18H2,1-2H3.
What are the key properties of 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline?
6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline has a molecular weight of 568.68 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-7-phenylmethoxy-4-thiophen-3-ylquinazoline is sourced from PubChem (CID 178107748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).