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

C16H14N4S — CID 143597625

IUPACN-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESc1cc(CNc2ncnc3ccc4c(c23)CCS4)ccn1
InChIInChI=1S/C16H14N4S/c1-2-14-12(5-8-21-14)15-13(1)19-10-20-16(15)18-9-11-3-6-17-7-4-11/h1-4,6-7,10H,5,8-9H2,(H,18,19,20)
InChIKeyBZRIYYGSZXBDKC-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.29
Rot. Bonds3

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

N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597625) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597625
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC NameN-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESc1cc(CNc2ncnc3ccc4c(c23)CCS4)ccn1
InChIInChI=1S/C16H14N4S/c1-2-14-12(5-8-21-14)15-13(1)19-10-20-16(15)18-9-11-3-6-17-7-4-11/h1-4,6-7,10H,5,8-9H2,(H,18,19,20)
InChIKeyBZRIYYGSZXBDKC-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622
N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597630
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
CID 143597708
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
CID 143597711
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117
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-methylbenzonitrile
CID 143597636
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
CID 143597659
4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol
CID 59345071
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597625) is N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is c1cc(CNc2ncnc3ccc4c(c23)CCS4)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is BZRIYYGSZXBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-2-14-12(5-8-21-14)15-13(1)19-10-20-16(15)18-9-11-3-6-17-7-4-11/h1-4,6-7,10H,5,8-9H2,(H,18,19,20).
What are the key properties of N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 294.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).