7-chloro-5-propan-2-ylquinoline

C12H12ClN — CID 155708995

IUPAC7-chloro-5-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)cc2ncccc12
InChIInChI=1S/C12H12ClN/c1-8(2)11-6-9(13)7-12-10(11)4-3-5-14-12/h3-8H,1-2H3
InChIKeyGGBNMKAHFSABAH-UHFFFAOYSA-N
MW205.69 g/mol
LogP4.01
Rot. Bonds1

About 7-chloro-5-propan-2-ylquinoline

7-chloro-5-propan-2-ylquinoline (PubChem CID 155708995) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 7-chloro-5-propan-2-ylquinoline.

Molecular Properties

Compound Name7-chloro-5-propan-2-ylquinoline
PubChem CID155708995
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name7-chloro-5-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)cc2ncccc12
InChIInChI=1S/C12H12ClN/c1-8(2)11-6-9(13)7-12-10(11)4-3-5-14-12/h3-8H,1-2H3
InChIKeyGGBNMKAHFSABAH-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-propan-2-ylquinoline?
The IUPAC name of 7-chloro-5-propan-2-ylquinoline (CID 155708995) is 7-chloro-5-propan-2-ylquinoline.
What is the SMILES notation for 7-chloro-5-propan-2-ylquinoline?
The canonical SMILES for 7-chloro-5-propan-2-ylquinoline is CC(C)c1cc(Cl)cc2ncccc12.
What is the InChIKey of 7-chloro-5-propan-2-ylquinoline?
The InChIKey is GGBNMKAHFSABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-8(2)11-6-9(13)7-12-10(11)4-3-5-14-12/h3-8H,1-2H3.
What are the key properties of 7-chloro-5-propan-2-ylquinoline?
7-chloro-5-propan-2-ylquinoline has a molecular weight of 205.69 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-propan-2-ylquinoline is sourced from PubChem (CID 155708995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).