2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid

C10H12N2O2 — CID 83861952

IUPAC2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
SMILESCc1ncc2c(n1)CCCC2C(=O)O
InChIInChI=1S/C10H12N2O2/c1-6-11-5-8-7(10(13)14)3-2-4-9(8)12-6/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyAXCSAJZJVDYHOT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.29
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid

2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid (PubChem CID 83861952) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
PubChem CID83861952
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
SMILESCc1ncc2c(n1)CCCC2C(=O)O
InChIInChI=1S/C10H12N2O2/c1-6-11-5-8-7(10(13)14)3-2-4-9(8)12-6/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyAXCSAJZJVDYHOT-UHFFFAOYSA-N
XLogP1.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95930428
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
CID 22769043
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid (CID 83861952) is 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid is Cc1ncc2c(n1)CCCC2C(=O)O.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid?
The InChIKey is AXCSAJZJVDYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-11-5-8-7(10(13)14)3-2-4-9(8)12-6/h5,7H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid?
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid is sourced from PubChem (CID 83861952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).