N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

C23H31N3O2 — CID 46484188

IUPACN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3
InChIKeyQOMMGDUNQCPICR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.20
Rot. Bonds4

About N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46484188) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID46484188
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1
InChIInChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3
InChIKeyQOMMGDUNQCPICR-UHFFFAOYSA-N
XLogP4.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (CID 46484188) is N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1ccc2ncn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=O)c2c1.
What is the InChIKey of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QOMMGDUNQCPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-12-13-21-20(14-17)23(28)25(16-24-21)15-22(27)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-14,16,18-19H,2-11,15H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46484188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).