6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid

C16H13N3O2 — CID 177320141

IUPAC6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccccn3)nc(C(=O)O)c2c1
InChIInChI=1S/C16H13N3O2/c1-9-7-10(2)13-11(8-9)14(16(20)21)19-15(18-13)12-5-3-4-6-17-12/h3-8H,1-2H3,(H,20,21)
InChIKeyJFFICZCNNNERCW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.01
Rot. Bonds2

About 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid

6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid (PubChem CID 177320141) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
PubChem CID177320141
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccccn3)nc(C(=O)O)c2c1
InChIInChI=1S/C16H13N3O2/c1-9-7-10(2)13-11(8-9)14(16(20)21)19-15(18-13)12-5-3-4-6-17-12/h3-8H,1-2H3,(H,20,21)
InChIKeyJFFICZCNNNERCW-UHFFFAOYSA-N
XLogP3.01
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1257141
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
CID 177319660
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220543
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70750036
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
ethane;6-methyl-3-pyridin-2-ylpyridine-2-carboxylic acid
CID 142536082
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid?
The IUPAC name of 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid (CID 177320141) is 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3ccccn3)nc(C(=O)O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid?
The InChIKey is JFFICZCNNNERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-7-10(2)13-11(8-9)14(16(20)21)19-15(18-13)12-5-3-4-6-17-12/h3-8H,1-2H3,(H,20,21).
What are the key properties of 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid?
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid is sourced from PubChem (CID 177320141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).