N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide

C20H21FN4O3 — CID 25119978

IUPACN-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(C)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C20H21FN4O3/c1-4-24(2)20-22-17-12-14(21)7-10-16(17)19(27)25(20)23-18(26)11-13-5-8-15(28-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,26)
InChIKeySSFWAQGUCFKXQZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide

N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 25119978) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID25119978
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(C)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C20H21FN4O3/c1-4-24(2)20-22-17-12-14(21)7-10-16(17)19(27)25(20)23-18(26)11-13-5-8-15(28-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,26)
InChIKeySSFWAQGUCFKXQZ-UHFFFAOYSA-N
XLogP2.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122821
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
CID 25118551
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 71197546
N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838398
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
CID 25119974
N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
CID 70838803
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
N-[2-(diethylamino)-5-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122822

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 25119978) is N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide is CCN(C)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SSFWAQGUCFKXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-4-24(2)20-22-17-12-14(21)7-10-16(17)19(27)25(20)23-18(26)11-13-5-8-15(28-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 25119978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).