2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid

C17H16ClNO2 — CID 15232663

IUPAC2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C17H16ClNO2/c18-14-9-11(10-16(20)21)8-13-6-7-15(19-17(13)14)12-4-2-1-3-5-12/h1-5,8-9,15,19H,6-7,10H2,(H,20,21)
InChIKeyDCBJYDQYTZYJMS-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.07
Rot. Bonds3

About 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid

2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid (PubChem CID 15232663) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
PubChem CID15232663
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C17H16ClNO2/c18-14-9-11(10-16(20)21)8-13-6-7-15(19-17(13)14)12-4-2-1-3-5-12/h1-5,8-9,15,19H,6-7,10H2,(H,20,21)
InChIKeyDCBJYDQYTZYJMS-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The IUPAC name of 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid (CID 15232663) is 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid is O=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1)N2.
What is the InChIKey of 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The InChIKey is DCBJYDQYTZYJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-14-9-11(10-16(20)21)8-13-6-7-15(19-17(13)14)12-4-2-1-3-5-12/h1-5,8-9,15,19H,6-7,10H2,(H,20,21).
What are the key properties of 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid has a molecular weight of 301.77 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid is sourced from PubChem (CID 15232663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).