N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide

C23H27N3O3 — CID 42713785

IUPACN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
SMILESCOCCn1c(C(C)N(C)C(=O)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O3/c1-17(25(2)21(27)14-13-18-9-5-4-6-10-18)22-24-20-12-8-7-11-19(20)23(28)26(22)15-16-29-3/h4-12,17H,13-16H2,1-3H3
InChIKeyXFPSWGMTHBRFHP-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.20
Rot. Bonds8

About N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide (PubChem CID 42713785) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
PubChem CID42713785
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
SMILESCOCCn1c(C(C)N(C)C(=O)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O3/c1-17(25(2)21(27)14-13-18-9-5-4-6-10-18)22-24-20-12-8-7-11-19(20)23(28)26(22)15-16-29-3/h4-12,17H,13-16H2,1-3H3
InChIKeyXFPSWGMTHBRFHP-UHFFFAOYSA-N
XLogP3.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
CID 42713839
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42713779
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-benzyl-2-fluoro-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713192
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42711700
3-cyclopentyl-N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42713203
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
(E)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 42713797
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide (CID 42713785) is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide is COCCn1c(C(C)N(C)C(=O)CCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is XFPSWGMTHBRFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(25(2)21(27)14-13-18-9-5-4-6-10-18)22-24-20-12-8-7-11-19(20)23(28)26(22)15-16-29-3/h4-12,17H,13-16H2,1-3H3.
What are the key properties of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide?
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 42713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).