2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C16H17N3O2 — CID 82733096

IUPAC2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCc1cccnc1-c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C16H17N3O2/c1-2-10-4-3-7-17-14(10)15-18-9-12-8-11(16(20)21)5-6-13(12)19-15/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,20,21)
InChIKeyYHSIGIPMJYJDIV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 82733096) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID82733096
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCc1cccnc1-c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C16H17N3O2/c1-2-10-4-3-7-17-14(10)15-18-9-12-8-11(16(20)21)5-6-13(12)19-15/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,20,21)
InChIKeyYHSIGIPMJYJDIV-UHFFFAOYSA-N
XLogP2.29
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 82733096) is 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CCc1cccnc1-c1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is YHSIGIPMJYJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-10-4-3-7-17-14(10)15-18-9-12-8-11(16(20)21)5-6-13(12)19-15/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,20,21).
What are the key properties of 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 82733096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).