2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone

C25H18ClN3OS — CID 3827614

IUPAC2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C25H18ClN3OS/c1-15-23(18-9-5-6-10-20(18)27-15)22(30)14-31-25-28-21-12-11-17(26)13-19(21)24(29-25)16-7-3-2-4-8-16/h2-13,27H,14H2,1H3
InChIKeyWZFMQTNJAZPLHO-UHFFFAOYSA-N
MW443.96 g/mol
LogP6.71
Rot. Bonds5

About 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone

2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 3827614) has the molecular formula C25H18ClN3OS and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID3827614
Molecular FormulaC25H18ClN3OS
Molecular Weight443.96 g/mol
Exact Mass443.09
IUPAC Name2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C25H18ClN3OS/c1-15-23(18-9-5-6-10-20(18)27-15)22(30)14-31-25-28-21-12-11-17(26)13-19(21)24(29-25)16-7-3-2-4-8-16/h2-13,27H,14H2,1H3
InChIKeyWZFMQTNJAZPLHO-UHFFFAOYSA-N
XLogP6.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.96
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
3-[[2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetyl]amino]propanoate
CID 7424882
1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
CID 1252760
6-chloro-4-phenyl-2-prop-2-ynylsulfanylquinazoline
CID 2931981
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4813760
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096
1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 722189
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 2341713
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
1-(2-methyl-1H-indol-3-yl)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 8634813
1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 2418759
2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 16538371

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone (CID 3827614) is 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is WZFMQTNJAZPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3OS/c1-15-23(18-9-5-6-10-20(18)27-15)22(30)14-31-25-28-21-12-11-17(26)13-19(21)24(29-25)16-7-3-2-4-8-16/h2-13,27H,14H2,1H3.
What are the key properties of 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 443.96 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 3827614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).