6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline

C23H15ClFN3S — CID 142940546

IUPAC6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline
SMILESCc1cccn1-c1nc(-c2ccccc2F)nc2ccc(-c3ccc(Cl)s3)cc12
InChIInChI=1S/C23H15ClFN3S/c1-14-5-4-12-28(14)23-17-13-15(20-10-11-21(24)29-20)8-9-19(17)26-22(27-23)16-6-2-3-7-18(16)25/h2-13H,1H3
InChIKeyBBDDWJGQKCYQAO-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.92
Rot. Bonds3

About 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline

6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline (PubChem CID 142940546) has the molecular formula C23H15ClFN3S and a molecular weight of 419.91 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline
PubChem CID142940546
Molecular FormulaC23H15ClFN3S
Molecular Weight419.91 g/mol
Exact Mass419.07
IUPAC Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline
SMILESCc1cccn1-c1nc(-c2ccccc2F)nc2ccc(-c3ccc(Cl)s3)cc12
InChIInChI=1S/C23H15ClFN3S/c1-14-5-4-12-28(14)23-17-13-15(20-10-11-21(24)29-20)8-9-19(17)26-22(27-23)16-6-2-3-7-18(16)25/h2-13H,1H3
InChIKeyBBDDWJGQKCYQAO-UHFFFAOYSA-N
XLogP6.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
2-[4-(7-Chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11304151
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 49786171
N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-amine
CID 118736874
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736876
2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 15990315
6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 44142048
6-(3-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142064
N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736890
N-(4-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736891
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892
N-(2-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736893

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline (CID 142940546) is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline is Cc1cccn1-c1nc(-c2ccccc2F)nc2ccc(-c3ccc(Cl)s3)cc12.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline?
The InChIKey is BBDDWJGQKCYQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3S/c1-14-5-4-12-28(14)23-17-13-15(20-10-11-21(24)29-20)8-9-19(17)26-22(27-23)16-6-2-3-7-18(16)25/h2-13H,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline?
6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline has a molecular weight of 419.91 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-(2-methylpyrrol-1-yl)quinazoline is sourced from PubChem (CID 142940546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).