2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H22N2O3 — CID 62710679

IUPAC2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCOCC(C)Nc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H22N2O3/c1-3-20-9-10(2)16-14-12(15(18)19)8-11-6-4-5-7-13(11)17-14/h8,10H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFAHVCCLRJMHSQO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds6

About 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 62710679) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID62710679
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCOCC(C)Nc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C15H22N2O3/c1-3-20-9-10(2)16-14-12(15(18)19)8-11-6-4-5-7-13(11)17-14/h8,10H,3-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFAHVCCLRJMHSQO-UHFFFAOYSA-N
XLogP2.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103464835
2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710458
2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62710326
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115327353
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62845332
2-(prop-2-enylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 55107933
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 107854792
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709773
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-(4-methoxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710159
2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103285851

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 62710679) is 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CCOCC(C)Nc1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is FAHVCCLRJMHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-9-10(2)16-14-12(15(18)19)8-11-6-4-5-7-13(11)17-14/h8,10H,3-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 62710679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).