4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C15H15N3O2 — CID 81423909

IUPAC4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2cccnc2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H15N3O2/c1-9-12-7-10(15(19)20)4-5-13(12)18-14(17-9)11-3-2-6-16-8-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,20)
InChIKeyLYYGGMHYWRYPKR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423909) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423909
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2cccnc2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H15N3O2/c1-9-12-7-10(15(19)20)4-5-13(12)18-14(17-9)11-3-2-6-16-8-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,20)
InChIKeyLYYGGMHYWRYPKR-UHFFFAOYSA-N
XLogP2.04
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424548
2-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423149
2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 104609415
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
4-methyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423772
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423769
ethyl 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 5261006
4-amino-6-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 116648034
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-(ethylsulfanylmethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423913
2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 116727439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423909) is 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(-c2cccnc2)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is LYYGGMHYWRYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-12-7-10(15(19)20)4-5-13(12)18-14(17-9)11-3-2-6-16-8-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).