4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C29H30N4O3 — CID 26995174

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-20-7-9-22(10-8-20)27(19-32-15-17-36-18-16-32)31-28(34)23-11-13-24(14-12-23)33-21(2)30-26-6-4-3-5-25(26)29(33)35/h3-14,27H,15-19H2,1-2H3,(H,31,34)/t27-/m0/s1
InChIKeyVUUXPVAYKHHAGZ-MHZLTWQESA-N
MW482.58 g/mol
LogP3.81
Rot. Bonds6

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 26995174) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID26995174
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-20-7-9-22(10-8-20)27(19-32-15-17-36-18-16-32)31-28(34)23-11-13-24(14-12-23)33-21(2)30-26-6-4-3-5-25(26)29(33)35/h3-14,27H,15-19H2,1-2H3,(H,31,34)/t27-/m0/s1
InChIKeyVUUXPVAYKHHAGZ-MHZLTWQESA-N
XLogP3.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide with MolForge

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3-(4-ethoxyphenyl)-2-[[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]quinazolin-4-one;sulfuric acid
CID 47011223
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60549295
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46565875
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 26995174) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is VUUXPVAYKHHAGZ-MHZLTWQESA-N. The full InChI is InChI=1S/C29H30N4O3/c1-20-7-9-22(10-8-20)27(19-32-15-17-36-18-16-32)31-28(34)23-11-13-24(14-12-23)33-21(2)30-26-6-4-3-5-25(26)29(33)35/h3-14,27H,15-19H2,1-2H3,(H,31,34)/t27-/m0/s1.
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 26995174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).