9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

C19H17N5OS — CID 11473947

IUPAC9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
SMILESCN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(O)c3)ncc1CC2
InChIInChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23)
InChIKeyAGUVBYOGMNUYPF-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.69
Rot. Bonds3

About 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile (PubChem CID 11473947) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile.

Molecular Properties

Compound Name9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
PubChem CID11473947
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
SMILESCN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(O)c3)ncc1CC2
InChIInChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23)
InChIKeyAGUVBYOGMNUYPF-UHFFFAOYSA-N
XLogP3.69
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-Hydroxyphenyl)amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
CID 44253187
3-(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-ylamino)-phenol
CID 11289869
3-(2-(2-Aminopyrimidin-4-yl)-3-methylbenzo[b]thiophen-5-ylamino)phenol
CID 24877013
4-(3-Chlorophenyl)-5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-(2-piperidin-1-ium-1-ylethylamino)thiophene-3-carbonitrile
CID 70701784
4-(3-Chlorophenyl)-5-{2-[(3-Hydroxyphenyl)amino]pyrimidin-4-Yl}-2-{[2-(Piperidin-1-Yl)ethyl]amino}thiophene-3-Carbonitrile
CID 60147039
5-[2-(3-Hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-phenylthiophene-3-carbonitrile
CID 10223663
5-(2-Anilinopyrimidin-4-yl)-2-[(4-hydroxyphenyl)methylsulfanyl]-4-phenylthiophene-3-carbonitrile
CID 10300194
2-(3-Hydroxyanilino)-9-methylsulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
CID 11245538
9-(Dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
CID 11257020
2-(4-Hydroxyanilino)-9-methylsulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
CID 11314589
5-[2-(3-Hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-(3-pyridin-4-ylphenyl)thiophene-3-carbonitrile
CID 22019036
2-(Dimethylamino)-4-(3-hydroxyphenyl)-5-[2-[3-(3-hydroxypropoxy)anilino]pyrimidin-4-yl]thiophene-3-carbonitrile
CID 23544416

Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?
The IUPAC name of 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile (CID 11473947) is 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile.
What is the SMILES notation for 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?
The canonical SMILES for 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile is CN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(O)c3)ncc1CC2.
What is the InChIKey of 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?
The InChIKey is AGUVBYOGMNUYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23).
What are the key properties of 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?
9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile is sourced from PubChem (CID 11473947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).