N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide

C23H27N3O5 — CID 3068397

IUPACN,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O5/c1-6-25(7-2)20(27)14-26-22(24-17-11-9-8-10-16(17)23(26)28)15-12-18(29-3)21(31-5)19(13-15)30-4/h8-13H,6-7,14H2,1-5H3
InChIKeyKICVKQDHIDLOER-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.96
Rot. Bonds8

About N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide

N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide (PubChem CID 3068397) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
PubChem CID3068397
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H27N3O5/c1-6-25(7-2)20(27)14-26-22(24-17-11-9-8-10-16(17)23(26)28)15-12-18(29-3)21(31-5)19(13-15)30-4/h8-13H,6-7,14H2,1-5H3
InChIKeyKICVKQDHIDLOER-UHFFFAOYSA-N
XLogP2.96
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide (CID 3068397) is N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide is CCN(CC)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The InChIKey is KICVKQDHIDLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-6-25(7-2)20(27)14-26-22(24-17-11-9-8-10-16(17)23(26)28)15-12-18(29-3)21(31-5)19(13-15)30-4/h8-13H,6-7,14H2,1-5H3.
What are the key properties of N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 3068397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).