N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide

C22H25N3O4S — CID 135949353

IUPACN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1C
InChIInChI=1S/C22H25N3O4S/c1-6-25(22(27)15-9-14(30-5)8-7-13(15)2)12-20-23-17-11-19(29-4)18(28-3)10-16(17)21(26)24-20/h7-11H,6,12H2,1-5H3,(H,23,24,26)
InChIKeyCEVNBSCJEGSINL-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.63
Rot. Bonds7

About N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide (PubChem CID 135949353) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide
PubChem CID135949353
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1C
InChIInChI=1S/C22H25N3O4S/c1-6-25(22(27)15-9-14(30-5)8-7-13(15)2)12-20-23-17-11-19(29-4)18(28-3)10-16(17)21(26)24-20/h7-11H,6,12H2,1-5H3,(H,23,24,26)
InChIKeyCEVNBSCJEGSINL-UHFFFAOYSA-N
XLogP3.63
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135920685
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-4-(2-methylpropyl)benzamide
CID 135820924
4-acetyl-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 135702726
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
CID 135820936
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167928948
1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)thiourea
CID 135789372
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
(2S)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702733
5-(4-acetylphenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylfuran-2-carboxamide
CID 135932309
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
CID 137132797

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide (CID 135949353) is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1C.
What is the InChIKey of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is CEVNBSCJEGSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-6-25(22(27)15-9-14(30-5)8-7-13(15)2)12-20-23-17-11-19(29-4)18(28-3)10-16(17)21(26)24-20/h7-11H,6,12H2,1-5H3,(H,23,24,26).
What are the key properties of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide?
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 427.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 135949353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).