2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C20H18ClN — CID 2566475

IUPAC2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESClc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3
InChIInChI=1S/C20H18ClN/c21-15-11-12-19-17(13-15)20(14-7-3-1-4-8-14)16-9-5-2-6-10-18(16)22-19/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyHBNZDGCXVZUAOA-UHFFFAOYSA-N
MW307.82 g/mol
LogP5.82
Rot. Bonds1

About 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 2566475) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID2566475
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC Name2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESClc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3
InChIInChI=1S/C20H18ClN/c21-15-11-12-19-17(13-15)20(14-7-3-1-4-8-14)16-9-5-2-6-10-18(16)22-19/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyHBNZDGCXVZUAOA-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 2566475) is 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is Clc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3.
What is the InChIKey of 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is HBNZDGCXVZUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c21-15-11-12-19-17(13-15)20(14-7-3-1-4-8-14)16-9-5-2-6-10-18(16)22-19/h1,3-4,7-8,11-13H,2,5-6,9-10H2.
What are the key properties of 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 307.82 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 2566475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).