3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide

C21H17FN4O3S — CID 139236753

IUPAC3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccsc3C(=O)Nc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C21H17FN4O3S/c1-28-17-9-14-16(10-18(17)29-2)23-11-24-20(14)26-15-6-7-30-19(15)21(27)25-13-5-3-4-12(22)8-13/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUKAYIQSLONQIAS-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.84
Rot. Bonds6

About 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide (PubChem CID 139236753) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide
PubChem CID139236753
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESCOc1cc2ncnc(Nc3ccsc3C(=O)Nc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C21H17FN4O3S/c1-28-17-9-14-16(10-18(17)29-2)23-11-24-20(14)26-15-6-7-30-19(15)21(27)25-13-5-3-4-12(22)8-13/h3-11H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUKAYIQSLONQIAS-UHFFFAOYSA-N
XLogP4.84
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851
N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-propan-2-ylbenzamide
CID 23627606
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
2-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-(2-methoxyethyl)amino]ethyl dihydrogen phosphate
CID 10394639
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
N-(3-fluorophenyl)-2-[4-[[6-methoxy-7-[3-[methyl(2-methylpropyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 11444021
1-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-3-(3-methoxyphenyl)urea
CID 11684784
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
2-[4-[[7-[3-(cyclopropylmethylamino)propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 11785694
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide (CID 139236753) is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide is COc1cc2ncnc(Nc3ccsc3C(=O)Nc3cccc(F)c3)c2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is UKAYIQSLONQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-28-17-9-14-16(10-18(17)29-2)23-11-24-20(14)26-15-6-7-30-19(15)21(27)25-13-5-3-4-12(22)8-13/h3-11H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide?
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(3-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 139236753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).