7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C10H18ClN — CID 170974307

IUPAC7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCNC2CC(Cl)CCC12
InChIInChI=1S/C10H18ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h7-10,12H,2-6H2,1H3
InChIKeyPFLMFRJLXKHCGX-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.39
Rot. Bonds

About 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 170974307) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID170974307
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCNC2CC(Cl)CCC12
InChIInChI=1S/C10H18ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h7-10,12H,2-6H2,1H3
InChIKeyPFLMFRJLXKHCGX-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 170974307) is 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CCNC2CC(Cl)CCC12.
What is the InChIKey of 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is PFLMFRJLXKHCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h7-10,12H,2-6H2,1H3.
What are the key properties of 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 187.71 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 170974307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).