2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C29H32N4O3 — CID 11854759

IUPAC2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34)
InChIKeyLPENTUWRJDWCMV-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.33
Rot. Bonds8

About 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 11854759) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID11854759
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34)
InChIKeyLPENTUWRJDWCMV-UHFFFAOYSA-N
XLogP4.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 11854759) is 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is LPENTUWRJDWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34).
What are the key properties of 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 484.60 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[(dimethylamino)methyl]phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 11854759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).