3-cyclohexyl-4H-quinazoline-7-carboxylic acid

C15H18N2O2 — CID 45488316

IUPAC3-cyclohexyl-4H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=CN(C1CCCCC1)C2
InChIInChI=1S/C15H18N2O2/c18-15(19)11-6-7-12-9-17(10-16-14(12)8-11)13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,18,19)
InChIKeyUDMPMUPRHJBYGT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds2

About 3-cyclohexyl-4H-quinazoline-7-carboxylic acid

3-cyclohexyl-4H-quinazoline-7-carboxylic acid (PubChem CID 45488316) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclohexyl-4H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-4H-quinazoline-7-carboxylic acid
PubChem CID45488316
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclohexyl-4H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=CN(C1CCCCC1)C2
InChIInChI=1S/C15H18N2O2/c18-15(19)11-6-7-12-9-17(10-16-14(12)8-11)13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,18,19)
InChIKeyUDMPMUPRHJBYGT-UHFFFAOYSA-N
XLogP3.19
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4H-quinazoline-7-carboxylic acid?
The IUPAC name of 3-cyclohexyl-4H-quinazoline-7-carboxylic acid (CID 45488316) is 3-cyclohexyl-4H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-4H-quinazoline-7-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-4H-quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)N=CN(C1CCCCC1)C2.
What is the InChIKey of 3-cyclohexyl-4H-quinazoline-7-carboxylic acid?
The InChIKey is UDMPMUPRHJBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)11-6-7-12-9-17(10-16-14(12)8-11)13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,18,19).
What are the key properties of 3-cyclohexyl-4H-quinazoline-7-carboxylic acid?
3-cyclohexyl-4H-quinazoline-7-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 45488316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).