3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C26H25N3O4 — CID 16830173

IUPAC3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1OCC
InChIInChI=1S/C26H25N3O4/c1-4-32-23-14-13-18(15-24(23)33-5-2)25(30)28-19-9-8-10-20(16-19)29-17(3)27-22-12-7-6-11-21(22)26(29)31/h6-16H,4-5H2,1-3H3,(H,28,30)
InChIKeyLOXCMSBOZZAKHQ-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.74
Rot. Bonds7

About 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 16830173) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID16830173
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1OCC
InChIInChI=1S/C26H25N3O4/c1-4-32-23-14-13-18(15-24(23)33-5-2)25(30)28-19-9-8-10-20(16-19)29-17(3)27-22-12-7-6-11-21(22)26(29)31/h6-16H,4-5H2,1-3H3,(H,28,30)
InChIKeyLOXCMSBOZZAKHQ-UHFFFAOYSA-N
XLogP4.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 16830173) is 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is LOXCMSBOZZAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-23-14-13-18(15-24(23)33-5-2)25(30)28-19-9-8-10-20(16-19)29-17(3)27-22-12-7-6-11-21(22)26(29)31/h6-16H,4-5H2,1-3H3,(H,28,30).
What are the key properties of 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 16830173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).