N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide

C23H18FN3O4 — CID 23847600

IUPACN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)c1OC
InChIInChI=1S/C23H18FN3O4/c1-30-19-9-5-7-17(20(19)31-2)22(28)26-27-21(14-10-12-15(24)13-11-14)25-18-8-4-3-6-16(18)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyKEAWMWCCNUWKFP-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide

N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide (PubChem CID 23847600) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
PubChem CID23847600
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)c1OC
InChIInChI=1S/C23H18FN3O4/c1-30-19-9-5-7-17(20(19)31-2)22(28)26-27-21(14-10-12-15(24)13-11-14)25-18-8-4-3-6-16(18)23(27)29/h3-13H,1-2H3,(H,26,28)
InChIKeyKEAWMWCCNUWKFP-UHFFFAOYSA-N
XLogP3.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23768429
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23766664
4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23824051
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 23905907
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide (CID 23847600) is N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
The InChIKey is KEAWMWCCNUWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-30-19-9-5-7-17(20(19)31-2)22(28)26-27-21(14-10-12-15(24)13-11-14)25-18-8-4-3-6-16(18)23(27)29/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide?
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide has a molecular weight of 419.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 23847600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).