4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide

C27H28N4O4 — CID 6737747

IUPAC4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3cc(OC)cc(OC)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H28N4O4/c1-5-30(6-2)20-13-11-18(12-14-20)26(32)29-31-25(19-15-21(34-3)17-22(16-19)35-4)28-24-10-8-7-9-23(24)27(31)33/h7-17H,5-6H2,1-4H3,(H,29,32)
InChIKeyMAYQZMHEOQHILX-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.31
Rot. Bonds8

About 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide

4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 6737747) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID6737747
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3cc(OC)cc(OC)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H28N4O4/c1-5-30(6-2)20-13-11-18(12-14-20)26(32)29-31-25(19-15-21(34-3)17-22(16-19)35-4)28-24-10-8-7-9-23(24)27(31)33/h7-17H,5-6H2,1-4H3,(H,29,32)
InChIKeyMAYQZMHEOQHILX-UHFFFAOYSA-N
XLogP4.31
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide (CID 6737747) is 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide is CCN(CC)c1ccc(C(=O)Nn2c(-c3cc(OC)cc(OC)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is MAYQZMHEOQHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-5-30(6-2)20-13-11-18(12-14-20)26(32)29-31-25(19-15-21(34-3)17-22(16-19)35-4)28-24-10-8-7-9-23(24)27(31)33/h7-17H,5-6H2,1-4H3,(H,29,32).
What are the key properties of 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide?
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 472.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 6737747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).