N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C27H27N3O5 — CID 171649492

IUPACN-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-17-28-22-9-7-6-8-21(22)27(32)30(17)20-12-10-19(11-13-20)29(2)25(31)16-18-14-23(33-3)26(35-5)24(15-18)34-4/h6-15H,16H2,1-5H3
InChIKeyLKCUHYIAUGQBPQ-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.93
Rot. Bonds7

About N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 171649492) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID171649492
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(C)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-17-28-22-9-7-6-8-21(22)27(32)30(17)20-12-10-19(11-13-20)29(2)25(31)16-18-14-23(33-3)26(35-5)24(15-18)34-4/h6-15H,16H2,1-5H3
InChIKeyLKCUHYIAUGQBPQ-UHFFFAOYSA-N
XLogP3.93
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 171649492) is N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(C)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is LKCUHYIAUGQBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-28-22-9-7-6-8-21(22)27(32)30(17)20-12-10-19(11-13-20)29(2)25(31)16-18-14-23(33-3)26(35-5)24(15-18)34-4/h6-15H,16H2,1-5H3.
What are the key properties of N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 171649492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).