2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C16H22N2O2 — CID 63940122

IUPAC2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C16H22N2O2/c1-2-18(10-11-7-8-11)15-13(16(19)20)9-12-5-3-4-6-14(12)17-15/h9,11H,2-8,10H2,1H3,(H,19,20)
InChIKeyVBTCCROGBPTIGN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 63940122) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID63940122
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCCN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C16H22N2O2/c1-2-18(10-11-7-8-11)15-13(16(19)20)9-12-5-3-4-6-14(12)17-15/h9,11H,2-8,10H2,1H3,(H,19,20)
InChIKeyVBTCCROGBPTIGN-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 63940122) is 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CCN(CC1CC1)c1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is VBTCCROGBPTIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18(10-11-7-8-11)15-13(16(19)20)9-12-5-3-4-6-14(12)17-15/h9,11H,2-8,10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 63940122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).