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

C14H20ClN — CID 82116986

IUPAC2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cc2c(nc1Cl)C(C)C(C)CC2
InChIInChI=1S/C14H20ClN/c1-8(2)12-7-11-6-5-9(3)10(4)13(11)16-14(12)15/h7-10H,5-6H2,1-4H3
InChIKeyBGROVPPRKQTWNV-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.54
Rot. Bonds1

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

2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 82116986) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID82116986
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cc2c(nc1Cl)C(C)C(C)CC2
InChIInChI=1S/C14H20ClN/c1-8(2)12-7-11-6-5-9(3)10(4)13(11)16-14(12)15/h7-10H,5-6H2,1-4H3
InChIKeyBGROVPPRKQTWNV-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-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 82116986) is 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)c1cc2c(nc1Cl)C(C)C(C)CC2.
What is the InChIKey of 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is BGROVPPRKQTWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-8(2)12-7-11-6-5-9(3)10(4)13(11)16-14(12)15/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-chloro-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
2-chloro-7,8-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-7,8-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 82116986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).