N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

C28H29N3O3 — CID 42717584

IUPACN-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCOC)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-25(30(18-19-34-3)27(32)21-10-6-5-7-11-21)26-29-24-13-9-8-12-23(24)28(33)31(26)22-16-14-20(2)15-17-22/h5-17,25H,4,18-19H2,1-3H3
InChIKeyPIOGEYNMJKAJNP-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.93
Rot. Bonds8

About N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide

N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42717584) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42717584
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCOC)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-25(30(18-19-34-3)27(32)21-10-6-5-7-11-21)26-29-24-13-9-8-12-23(24)28(33)31(26)22-16-14-20(2)15-17-22/h5-17,25H,4,18-19H2,1-3H3
InChIKeyPIOGEYNMJKAJNP-UHFFFAOYSA-N
XLogP4.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
4-chloro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719137
4-tert-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)benzamide
CID 42716637
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 42719837
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 42727836
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42721170
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
2-fluoro-N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719145
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
4-tert-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 3962561

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42717584) is N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CCOC)C(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is PIOGEYNMJKAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-4-25(30(18-19-34-3)27(32)21-10-6-5-7-11-21)26-29-24-13-9-8-12-23(24)28(33)31(26)22-16-14-20(2)15-17-22/h5-17,25H,4,18-19H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42717584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).