N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide

C22H18FN3O3 — CID 5164971

IUPACN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O
InChIInChI=1S/C22H18FN3O3/c1-29-20-5-3-2-4-16(20)21(28)26-22-24-12-17-18(25-22)10-14(11-19(17)27)13-6-8-15(23)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,24,25,26,28)
InChIKeyGVMJQKNLPYJEHW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.79
Rot. Bonds4

About N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide

N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide (PubChem CID 5164971) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
PubChem CID5164971
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O
InChIInChI=1S/C22H18FN3O3/c1-29-20-5-3-2-4-16(20)21(28)26-22-24-12-17-18(25-22)10-14(11-19(17)27)13-6-8-15(23)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,24,25,26,28)
InChIKeyGVMJQKNLPYJEHW-UHFFFAOYSA-N
XLogP3.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 40968935
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 5174165
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
N-[(7R)-7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3-methylbenzamide
CID 2021715
2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
CID 3200265
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2005385

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide (CID 5164971) is N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O.
What is the InChIKey of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide?
The InChIKey is GVMJQKNLPYJEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-29-20-5-3-2-4-16(20)21(28)26-22-24-12-17-18(25-22)10-14(11-19(17)27)13-6-8-15(23)9-7-13/h2-9,12,14H,10-11H2,1H3,(H,24,25,26,28).
What are the key properties of N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide?
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide has a molecular weight of 391.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 5164971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).