1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid

C18H21NO2 — CID 63462653

IUPAC1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)CCCCCC3
InChIInChI=1S/C18H21NO2/c1-11-9-10-12(2)17-15(11)16(18(20)21)13-7-5-3-4-6-8-14(13)19-17/h9-10H,3-8H2,1-2H3,(H,20,21)
InChIKeyYUTJVXIQKJXJBC-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.21
Rot. Bonds1

About 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid

1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid (PubChem CID 63462653) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
PubChem CID63462653
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)CCCCCC3
InChIInChI=1S/C18H21NO2/c1-11-9-10-12(2)17-15(11)16(18(20)21)13-7-5-3-4-6-8-14(13)19-17/h9-10H,3-8H2,1-2H3,(H,20,21)
InChIKeyYUTJVXIQKJXJBC-UHFFFAOYSA-N
XLogP4.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid?
The IUPAC name of 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid (CID 63462653) is 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)c3c(nc12)CCCCCC3.
What is the InChIKey of 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid?
The InChIKey is YUTJVXIQKJXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-9-10-12(2)17-15(11)16(18(20)21)13-7-5-3-4-6-8-14(13)19-17/h9-10H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid?
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid is sourced from PubChem (CID 63462653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).