4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid

C16H19N3O2 — CID 62406915

IUPAC4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCN(c1nc(C(=O)O)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-14(18-15)16(20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyZIZCNUJARFQAJD-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.10
Rot. Bonds3

About 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid

4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid (PubChem CID 62406915) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
PubChem CID62406915
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCN(c1nc(C(=O)O)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-14(18-15)16(20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyZIZCNUJARFQAJD-UHFFFAOYSA-N
XLogP3.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid (CID 62406915) is 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid is CN(c1nc(C(=O)O)nc2ccccc12)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is ZIZCNUJARFQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(11-7-3-2-4-8-11)15-12-9-5-6-10-13(12)17-14(18-15)16(20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid?
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 62406915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).