4-chloro-2-thiophen-2-ylbenzo[g]quinazoline

C16H9ClN2S — CID 114589464

IUPAC4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
SMILESClc1nc(-c2cccs2)nc2cc3ccccc3cc12
InChIInChI=1S/C16H9ClN2S/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)18-16(19-15)14-6-3-7-20-14/h1-9H
InChIKeyNMMFVRHYKODPFO-UHFFFAOYSA-N
MW296.78 g/mol
LogP5.16
Rot. Bonds1

About 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline

4-chloro-2-thiophen-2-ylbenzo[g]quinazoline (PubChem CID 114589464) has the molecular formula C16H9ClN2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline.

Molecular Properties

Compound Name4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
PubChem CID114589464
Molecular FormulaC16H9ClN2S
Molecular Weight296.78 g/mol
Exact Mass296.02
IUPAC Name4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
SMILESClc1nc(-c2cccs2)nc2cc3ccccc3cc12
InChIInChI=1S/C16H9ClN2S/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)18-16(19-15)14-6-3-7-20-14/h1-9H
InChIKeyNMMFVRHYKODPFO-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.78
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-2-thiophen-2-ylquinazoline
CID 55180550
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
CID 22124922
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940
4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
CID 62717082
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
2-thiophen-2-ylquinazoline-4-carbonitrile
CID 166594802
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861
4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
CID 18931105
4-indol-1-yl-2-thiophen-2-ylquinazoline
CID 162400735
5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
CID 66292949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline?
The IUPAC name of 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline (CID 114589464) is 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline.
What is the SMILES notation for 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline?
The canonical SMILES for 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline is Clc1nc(-c2cccs2)nc2cc3ccccc3cc12.
What is the InChIKey of 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline?
The InChIKey is NMMFVRHYKODPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2S/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)18-16(19-15)14-6-3-7-20-14/h1-9H.
What are the key properties of 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline?
4-chloro-2-thiophen-2-ylbenzo[g]quinazoline has a molecular weight of 296.78 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-2-ylbenzo[g]quinazoline is sourced from PubChem (CID 114589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).