5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile

C18H14N4S — CID 143597636

IUPAC5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
SMILESCc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1C#N
InChIInChI=1S/C18H14N4S/c1-11-2-3-13(8-12(11)9-19)22-18-17-14-6-7-23-16(14)5-4-15(17)20-10-21-18/h2-5,8,10H,6-7H2,1H3,(H,20,21,22)
InChIKeySLQSVBYEYOLNBX-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.20
Rot. Bonds2

About 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile

5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile (PubChem CID 143597636) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile.

Molecular Properties

Compound Name5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
PubChem CID143597636
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
SMILESCc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1C#N
InChIInChI=1S/C18H14N4S/c1-11-2-3-13(8-12(11)9-19)22-18-17-14-6-7-23-16(14)5-4-15(17)20-10-21-18/h2-5,8,10H,6-7H2,1H3,(H,20,21,22)
InChIKeySLQSVBYEYOLNBX-UHFFFAOYSA-N
XLogP4.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethynylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597651
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
CID 143597659
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
CID 143597711
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
CID 143597708
N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597630
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 135481830
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
2-(4-hydroxypiperidin-1-yl)-5-(quinazolin-4-ylamino)benzonitrile
CID 133324873
4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 107795065

Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile?
The IUPAC name of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile (CID 143597636) is 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile.
What is the SMILES notation for 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile?
The canonical SMILES for 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile is Cc1ccc(Nc2ncnc3ccc4c(c23)CCS4)cc1C#N.
What is the InChIKey of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile?
The InChIKey is SLQSVBYEYOLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-11-2-3-13(8-12(11)9-19)22-18-17-14-6-7-23-16(14)5-4-15(17)20-10-21-18/h2-5,8,10H,6-7H2,1H3,(H,20,21,22).
What are the key properties of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile?
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile has a molecular weight of 318.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile is sourced from PubChem (CID 143597636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).