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

C19H15N3OS — CID 143597659

IUPAC5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Nc3ncnc4ccc5c(c34)CCS5)ccc21
InChIInChI=1S/C19H15N3OS/c23-16-5-1-11-9-12(2-3-13(11)16)22-19-18-14-7-8-24-17(14)6-4-15(18)20-10-21-19/h2-4,6,9-10H,1,5,7-8H2,(H,20,21,22)
InChIKeyHVCSMXBYXPRXBK-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.15
Rot. Bonds2

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

5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one (PubChem CID 143597659) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
PubChem CID143597659
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Nc3ncnc4ccc5c(c34)CCS5)ccc21
InChIInChI=1S/C19H15N3OS/c23-16-5-1-11-9-12(2-3-13(11)16)22-19-18-14-7-8-24-17(14)6-4-15(18)20-10-21-19/h2-4,6,9-10H,1,5,7-8H2,(H,20,21,22)
InChIKeyHVCSMXBYXPRXBK-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
CID 143597636
N-(3-ethynylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597651
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
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
6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one
CID 141305407
N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597653
5-(cyclopropylamino)-2,3-dihydroinden-1-one
CID 83817707
[5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol
CID 59345068
1-[4-[6-[(1-amino-3H-isoindol-5-yl)amino]-5-hydroxypyrimidin-4-yl]phenyl]ethanone
CID 67889967
5-(2-phenylethylamino)-2,3-dihydroinden-1-one
CID 68857612

Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one (CID 143597659) is 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one is O=C1CCc2cc(Nc3ncnc4ccc5c(c34)CCS5)ccc21.
What is the InChIKey of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one?
The InChIKey is HVCSMXBYXPRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-16-5-1-11-9-12(2-3-13(11)16)22-19-18-14-7-8-24-17(14)6-4-15(18)20-10-21-19/h2-4,6,9-10H,1,5,7-8H2,(H,20,21,22).
What are the key properties of 5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one?
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one has a molecular weight of 333.42 g/mol, XLogP of 4.15, 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)-2,3-dihydroinden-1-one is sourced from PubChem (CID 143597659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).