N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C27H26FN3O3 — CID 42713192

IUPACN-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCOCCn1c(C(C)N(Cc2ccccc2)C(=O)c2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C27H26FN3O3/c1-19(25-29-24-15-9-7-13-22(24)27(33)30(25)16-17-34-2)31(18-20-10-4-3-5-11-20)26(32)21-12-6-8-14-23(21)28/h3-15,19H,16-18H2,1-2H3
InChIKeySLWRITHEVVRIOD-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.59
Rot. Bonds8

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

N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42713192) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42713192
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC NameN-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCOCCn1c(C(C)N(Cc2ccccc2)C(=O)c2ccccc2F)nc2ccccc2c1=O
InChIInChI=1S/C27H26FN3O3/c1-19(25-29-24-15-9-7-13-22(24)27(33)30(25)16-17-34-2)31(18-20-10-4-3-5-11-20)26(32)21-12-6-8-14-23(21)28/h3-15,19H,16-18H2,1-2H3
InChIKeySLWRITHEVVRIOD-UHFFFAOYSA-N
XLogP4.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide with MolForge

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Related Compounds

1-benzyl-3-(2,4-difluorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713196
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898
N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 93105333
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 42717672
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
CID 42713785
2-fluoro-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42727689
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713352
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42713779
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42713192) is N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is COCCn1c(C(C)N(Cc2ccccc2)C(=O)c2ccccc2F)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is SLWRITHEVVRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-19(25-29-24-15-9-7-13-22(24)27(33)30(25)16-17-34-2)31(18-20-10-4-3-5-11-20)26(32)21-12-6-8-14-23(21)28/h3-15,19H,16-18H2,1-2H3.
What are the key properties of N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42713192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).