2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline

C14H20ClN — CID 82116989

IUPAC2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC1Cc2nc(Cl)c(C(C)C)cc2C(C)C1
InChIInChI=1S/C14H20ClN/c1-8(2)11-7-12-10(4)5-9(3)6-13(12)16-14(11)15/h7-10H,5-6H2,1-4H3
InChIKeyYYHBAWZNPCNGKS-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.54
Rot. Bonds1

About 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline

2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 82116989) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID82116989
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC1Cc2nc(Cl)c(C(C)C)cc2C(C)C1
InChIInChI=1S/C14H20ClN/c1-8(2)11-7-12-10(4)5-9(3)6-13(12)16-14(11)15/h7-10H,5-6H2,1-4H3
InChIKeyYYHBAWZNPCNGKS-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 82116989) is 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC1Cc2nc(Cl)c(C(C)C)cc2C(C)C1.
What is the InChIKey of 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is YYHBAWZNPCNGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-8(2)11-7-12-10(4)5-9(3)6-13(12)16-14(11)15/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 237.77 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 82116989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).