2-pyrimidin-5-ylthieno[3,2-c]quinoline

C15H9N3S — CID 71530528

IUPAC2-pyrimidin-5-ylthieno[3,2-c]quinoline
SMILESc1ccc2c(c1)ncc1cc(-c3cncnc3)sc12
InChIInChI=1S/C15H9N3S/c1-2-4-13-12(3-1)15-10(8-18-13)5-14(19-15)11-6-16-9-17-7-11/h1-9H
InChIKeyXUMVXKUOROXGJR-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.91
Rot. Bonds1

About 2-pyrimidin-5-ylthieno[3,2-c]quinoline

2-pyrimidin-5-ylthieno[3,2-c]quinoline (PubChem CID 71530528) has the molecular formula C15H9N3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-pyrimidin-5-ylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name2-pyrimidin-5-ylthieno[3,2-c]quinoline
PubChem CID71530528
Molecular FormulaC15H9N3S
Molecular Weight263.32 g/mol
Exact Mass263.05
IUPAC Name2-pyrimidin-5-ylthieno[3,2-c]quinoline
SMILESc1ccc2c(c1)ncc1cc(-c3cncnc3)sc12
InChIInChI=1S/C15H9N3S/c1-2-4-13-12(3-1)15-10(8-18-13)5-14(19-15)11-6-16-9-17-7-11/h1-9H
InChIKeyXUMVXKUOROXGJR-UHFFFAOYSA-N
XLogP3.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-thieno[3,2-c]quinolin-2-ylbenzonitrile
CID 71530393
phenanthridine
CID 9189
3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 152541674
2-methyl-[1,3]thiazolo[4,5-c]quinoline;hydrochloride
CID 3066128
phenanthridine;platinum(2+)
CID 23616726
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
2-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)quinoxaline
CID 135177884
pyrimido[5,4-c]isoquinoline
CID 121477072
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
10-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 15831757
9-methylphenanthridine
CID 10987123
3-anthracen-9-ylquinoline
CID 170654314

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylthieno[3,2-c]quinoline?
The IUPAC name of 2-pyrimidin-5-ylthieno[3,2-c]quinoline (CID 71530528) is 2-pyrimidin-5-ylthieno[3,2-c]quinoline.
What is the SMILES notation for 2-pyrimidin-5-ylthieno[3,2-c]quinoline?
The canonical SMILES for 2-pyrimidin-5-ylthieno[3,2-c]quinoline is c1ccc2c(c1)ncc1cc(-c3cncnc3)sc12.
What is the InChIKey of 2-pyrimidin-5-ylthieno[3,2-c]quinoline?
The InChIKey is XUMVXKUOROXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3S/c1-2-4-13-12(3-1)15-10(8-18-13)5-14(19-15)11-6-16-9-17-7-11/h1-9H.
What are the key properties of 2-pyrimidin-5-ylthieno[3,2-c]quinoline?
2-pyrimidin-5-ylthieno[3,2-c]quinoline has a molecular weight of 263.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 71530528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).