5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C19H17ClFN3O3 — CID 135842963

IUPAC5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C19H17ClFN3O3/c1-27-9-8-24(19(26)14-10-12(20)6-7-15(14)21)11-17-22-16-5-3-2-4-13(16)18(25)23-17/h2-7,10H,8-9,11H2,1H3,(H,22,23,25)
InChIKeyLRLOMDUXSKVAMO-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.00
Rot. Bonds6

About 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135842963) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135842963
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCOCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C19H17ClFN3O3/c1-27-9-8-24(19(26)14-10-12(20)6-7-15(14)21)11-17-22-16-5-3-2-4-13(16)18(25)23-17/h2-7,10H,8-9,11H2,1H3,(H,22,23,25)
InChIKeyLRLOMDUXSKVAMO-UHFFFAOYSA-N
XLogP3.00
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide with MolForge

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 135768682
N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135939332
2-(2-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135722281
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
(E)-3-(3-chlorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135722278
N-benzyl-2,5-dichloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738069
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoxaline-2-carboxamide
CID 135819529
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135722240
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135848546
5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135665198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135842963) is 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is LRLOMDUXSKVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-27-9-8-24(19(26)14-10-12(20)6-7-15(14)21)11-17-22-16-5-3-2-4-13(16)18(25)23-17/h2-7,10H,8-9,11H2,1H3,(H,22,23,25).
What are the key properties of 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 389.81 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).