4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline

C16H14ClN3S — CID 114591349

IUPAC4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C16H14ClN3S/c17-15-13-9-12(20-6-1-2-7-20)3-4-14(13)18-16(19-15)11-5-8-21-10-11/h3-5,8-10H,1-2,6-7H2
InChIKeyNVSMJVICIVEYCB-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.61
Rot. Bonds2

About 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline

4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline (PubChem CID 114591349) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
PubChem CID114591349
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C16H14ClN3S/c17-15-13-9-12(20-6-1-2-7-20)3-4-14(13)18-16(19-15)11-5-8-21-10-11/h3-5,8-10H,1-2,6-7H2
InChIKeyNVSMJVICIVEYCB-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
1-(3-thiophen-3-ylphenyl)pyrrolidine
CID 145461347
4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
CID 130535740
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
CID 114591343
4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
CID 55158641
4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine
CID 114693336
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
CID 63561695
4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
CID 142062413
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
CID 63409043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline (CID 114591349) is 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline is Clc1nc(-c2ccsc2)nc2ccc(N3CCCC3)cc12.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline?
The InChIKey is NVSMJVICIVEYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c17-15-13-9-12(20-6-1-2-7-20)3-4-14(13)18-16(19-15)11-5-8-21-10-11/h3-5,8-10H,1-2,6-7H2.
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline?
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline has a molecular weight of 315.83 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 114591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).