N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C17H16N4S — CID 143597630

IUPACN-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(Nc1ncnc2ccc3c(c12)CCS3)c1ccncc1
InChIInChI=1S/C17H16N4S/c1-11(12-4-7-18-8-5-12)21-17-16-13-6-9-22-15(13)3-2-14(16)19-10-20-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,21)
InChIKeyNFKNKVSZEIUIOK-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.85
Rot. Bonds3

About N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597630) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597630
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC NameN-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCC(Nc1ncnc2ccc3c(c12)CCS3)c1ccncc1
InChIInChI=1S/C17H16N4S/c1-11(12-4-7-18-8-5-12)21-17-16-13-6-9-22-15(13)3-2-14(16)19-10-20-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,21)
InChIKeyNFKNKVSZEIUIOK-UHFFFAOYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597630) is N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is CC(Nc1ncnc2ccc3c(c12)CCS3)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is NFKNKVSZEIUIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-11(12-4-7-18-8-5-12)21-17-16-13-6-9-22-15(13)3-2-14(16)19-10-20-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,21).
What are the key properties of N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 308.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).