4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide

C25H29N3O2 — CID 23762494

IUPAC4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H29N3O2/c1-25(2,3)19-15-13-18(14-16-19)23(29)27-28-22(17-9-5-4-6-10-17)26-21-12-8-7-11-20(21)24(28)30/h7-8,11-17H,4-6,9-10H2,1-3H3,(H,27,29)
InChIKeyXEXQISDONVLUEZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.13
Rot. Bonds3

About 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide

4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 23762494) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID23762494
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H29N3O2/c1-25(2,3)19-15-13-18(14-16-19)23(29)27-28-22(17-9-5-4-6-10-17)26-21-12-8-7-11-20(21)24(28)30/h7-8,11-17H,4-6,9-10H2,1-3H3,(H,27,29)
InChIKeyXEXQISDONVLUEZ-UHFFFAOYSA-N
XLogP5.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide (CID 23762494) is 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is XEXQISDONVLUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-25(2,3)19-15-13-18(14-16-19)23(29)27-28-22(17-9-5-4-6-10-17)26-21-12-8-7-11-20(21)24(28)30/h7-8,11-17H,4-6,9-10H2,1-3H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide?
4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 23762494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).