2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H18N4O2 — CID 63303905

IUPAC2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCn1nccc1CNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H18N4O2/c1-19-11(6-7-17-19)9-16-14-12(15(20)21)8-10-4-2-3-5-13(10)18-14/h6-8H,2-5,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyGMCMJISOGIHUTN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 63303905) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID63303905
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCn1nccc1CNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H18N4O2/c1-19-11(6-7-17-19)9-16-14-12(15(20)21)8-10-4-2-3-5-13(10)18-14/h6-8H,2-5,9H2,1H3,(H,16,18)(H,20,21)
InChIKeyGMCMJISOGIHUTN-UHFFFAOYSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 63303905) is 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is Cn1nccc1CNc1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is GMCMJISOGIHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-11(6-7-17-19)9-16-14-12(15(20)21)8-10-4-2-3-5-13(10)18-14/h6-8H,2-5,9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 63303905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).