2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid

C16H21NO2 — CID 65498006

IUPAC2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1ccc2c(c1)CCCN2CC1(CC(=O)O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-5-14-13(9-12)3-2-8-17(14)11-16(6-7-16)10-15(18)19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,18,19)
InChIKeyLEDQTQJAVJUVMH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds4

About 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498006) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498006
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1ccc2c(c1)CCCN2CC1(CC(=O)O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-5-14-13(9-12)3-2-8-17(14)11-16(6-7-16)10-15(18)19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,18,19)
InChIKeyLEDQTQJAVJUVMH-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid with MolForge

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Related Compounds

[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexyl]methanamine
CID 63484142
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
6-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63142917
N-methyl-1-[3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740113
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62276943
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid (CID 65498006) is 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid is Cc1ccc2c(c1)CCCN2CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is LEDQTQJAVJUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-5-14-13(9-12)3-2-8-17(14)11-16(6-7-16)10-15(18)19/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).