6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline

C17H14FN3S — CID 133307459

IUPAC6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CC=C(c4cccs4)CC3)c2c1
InChIInChI=1S/C17H14FN3S/c18-13-3-4-15-14(10-13)17(20-11-19-15)21-7-5-12(6-8-21)16-2-1-9-22-16/h1-5,9-11H,6-8H2
InChIKeyBKLRYENKLPFRSR-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.12
Rot. Bonds2

About 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline

6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline (PubChem CID 133307459) has the molecular formula C17H14FN3S and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline
PubChem CID133307459
Molecular FormulaC17H14FN3S
Molecular Weight311.39 g/mol
Exact Mass311.09
IUPAC Name6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline
SMILESFc1ccc2ncnc(N3CC=C(c4cccs4)CC3)c2c1
InChIInChI=1S/C17H14FN3S/c18-13-3-4-15-14(10-13)17(20-11-19-15)21-7-5-12(6-8-21)16-2-1-9-22-16/h1-5,9-11H,6-8H2
InChIKeyBKLRYENKLPFRSR-UHFFFAOYSA-N
XLogP4.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133307475
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
4-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-fluoroquinazoline
CID 133309107
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980890
4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
CID 133307423
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71995970
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline?
The IUPAC name of 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline (CID 133307459) is 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline?
The canonical SMILES for 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline is Fc1ccc2ncnc(N3CC=C(c4cccs4)CC3)c2c1.
What is the InChIKey of 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline?
The InChIKey is BKLRYENKLPFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3S/c18-13-3-4-15-14(10-13)17(20-11-19-15)21-7-5-12(6-8-21)16-2-1-9-22-16/h1-5,9-11H,6-8H2.
What are the key properties of 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline?
6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline has a molecular weight of 311.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazoline is sourced from PubChem (CID 133307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).