4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid

C16H19N3O2 — CID 62406033

IUPAC4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
SMILESCC1CCC(Nc2nc(C(=O)O)nc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(19-14)16(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyNXCOGMIIQCZWEE-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.32
Rot. Bonds3

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

4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid (PubChem CID 62406033) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
PubChem CID62406033
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
SMILESCC1CCC(Nc2nc(C(=O)O)nc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(19-14)16(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyNXCOGMIIQCZWEE-UHFFFAOYSA-N
XLogP3.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
2-[(4-methylcyclohexyl)amino]quinoline-4-carbothioamide
CID 63885335
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
5-amino-6-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 104963536
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid (CID 62406033) is 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid is CC1CCC(Nc2nc(C(=O)O)nc3ccccc23)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is NXCOGMIIQCZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-6-8-11(9-7-10)17-14-12-4-2-3-5-13(12)18-15(19-14)16(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid?
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 62406033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).