N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C19H16N4O4 — CID 55813649

IUPACN-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OCC#N)cc3)ccc2c1=O
InChIInChI=1S/C19H16N4O4/c1-2-23-18(25)15-8-3-12(11-16(15)22-19(23)26)17(24)21-13-4-6-14(7-5-13)27-10-9-20/h3-8,11H,2,10H2,1H3,(H,21,24)(H,22,26)
InChIKeyOKMURVYCTIMWAD-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.86
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 55813649) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID55813649
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OCC#N)cc3)ccc2c1=O
InChIInChI=1S/C19H16N4O4/c1-2-23-18(25)15-8-3-12(11-16(15)22-19(23)26)17(24)21-13-4-6-14(7-5-13)27-10-9-20/h3-8,11H,2,10H2,1H3,(H,21,24)(H,22,26)
InChIKeyOKMURVYCTIMWAD-UHFFFAOYSA-N
XLogP1.86
TPSA116.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
CID 55851551
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
N-(4-ethoxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5128415
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
3-ethyl-N-[4-(2-methoxyphenoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24575698
N-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3613177
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 55813649) is N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OCC#N)cc3)ccc2c1=O.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is OKMURVYCTIMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-2-23-18(25)15-8-3-12(11-16(15)22-19(23)26)17(24)21-13-4-6-14(7-5-13)27-10-9-20/h3-8,11H,2,10H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55813649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).