4-indol-1-yl-2-thiophen-2-ylquinazoline

C20H13N3S — CID 162400735

IUPAC4-indol-1-yl-2-thiophen-2-ylquinazoline
SMILESc1csc(-c2nc(-n3ccc4ccccc43)c3ccccc3n2)c1
InChIInChI=1S/C20H13N3S/c1-4-9-17-14(6-1)11-12-23(17)20-15-7-2-3-8-16(15)21-19(22-20)18-10-5-13-24-18/h1-13H
InChIKeyGOKFPDWWIMEYAJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP5.30
Rot. Bonds2

About 4-indol-1-yl-2-thiophen-2-ylquinazoline

4-indol-1-yl-2-thiophen-2-ylquinazoline (PubChem CID 162400735) has the molecular formula C20H13N3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-indol-1-yl-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-indol-1-yl-2-thiophen-2-ylquinazoline
PubChem CID162400735
Molecular FormulaC20H13N3S
Molecular Weight327.41 g/mol
Exact Mass327.08
IUPAC Name4-indol-1-yl-2-thiophen-2-ylquinazoline
SMILESc1csc(-c2nc(-n3ccc4ccccc43)c3ccccc3n2)c1
InChIInChI=1S/C20H13N3S/c1-4-9-17-14(6-1)11-12-23(17)20-15-7-2-3-8-16(15)21-19(22-20)18-10-5-13-24-18/h1-13H
InChIKeyGOKFPDWWIMEYAJ-UHFFFAOYSA-N
XLogP5.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
2-thiophen-2-ylquinazoline-4-carbonitrile
CID 166594802
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 112814910
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
CID 133280074
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
6-methyl-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 133271082
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-indol-1-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 146375728

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-indol-1-yl-2-thiophen-2-ylquinazoline (CID 162400735) is 4-indol-1-yl-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-indol-1-yl-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-indol-1-yl-2-thiophen-2-ylquinazoline is c1csc(-c2nc(-n3ccc4ccccc43)c3ccccc3n2)c1.
What is the InChIKey of 4-indol-1-yl-2-thiophen-2-ylquinazoline?
The InChIKey is GOKFPDWWIMEYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3S/c1-4-9-17-14(6-1)11-12-23(17)20-15-7-2-3-8-16(15)21-19(22-20)18-10-5-13-24-18/h1-13H.
What are the key properties of 4-indol-1-yl-2-thiophen-2-ylquinazoline?
4-indol-1-yl-2-thiophen-2-ylquinazoline has a molecular weight of 327.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 162400735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).