N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C27H26FN3O3 — CID 42723018

IUPACN-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O3/c1-4-22(30(5-2)26(32)18-14-16-19(28)17-15-18)25-29-21-11-7-6-10-20(21)27(33)31(25)23-12-8-9-13-24(23)34-3/h6-17,22H,4-5H2,1-3H3
InChIKeyOHYITTVCGMXSFS-UHFFFAOYSA-N
MW459.52 g/mol
LogP5.15
Rot. Bonds7

About N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42723018) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42723018
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC NameN-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O3/c1-4-22(30(5-2)26(32)18-14-16-19(28)17-15-18)25-29-21-11-7-6-10-20(21)27(33)31(25)23-12-8-9-13-24(23)34-3/h6-17,22H,4-5H2,1-3H3
InChIKeyOHYITTVCGMXSFS-UHFFFAOYSA-N
XLogP5.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723044
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42723057
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
CID 42722999
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42722815
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
CID 42723013
N-ethyl-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42718793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42723018) is N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CC)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is OHYITTVCGMXSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-4-22(30(5-2)26(32)18-14-16-19(28)17-15-18)25-29-21-11-7-6-10-20(21)27(33)31(25)23-12-8-9-13-24(23)34-3/h6-17,22H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42723018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).