7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid

C14H14ClNO2 — CID 60984412

IUPAC7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1c(C(C)C)nc2cc(Cl)ccc2c1C(=O)O
InChIInChI=1S/C14H14ClNO2/c1-7(2)13-8(3)12(14(17)18)10-5-4-9(15)6-11(10)16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyFISUUSLRWSVOKW-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.02
Rot. Bonds2

About 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid

7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 60984412) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
PubChem CID60984412
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1c(C(C)C)nc2cc(Cl)ccc2c1C(=O)O
InChIInChI=1S/C14H14ClNO2/c1-7(2)13-8(3)12(14(17)18)10-5-4-9(15)6-11(10)16-13/h4-7H,1-3H3,(H,17,18)
InChIKeyFISUUSLRWSVOKW-UHFFFAOYSA-N
XLogP4.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid (CID 60984412) is 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid is Cc1c(C(C)C)nc2cc(Cl)ccc2c1C(=O)O.
What is the InChIKey of 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is FISUUSLRWSVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-7(2)13-8(3)12(14(17)18)10-5-4-9(15)6-11(10)16-13/h4-7H,1-3H3,(H,17,18).
What are the key properties of 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid?
7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 263.72 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 60984412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).