4,7-dichloro-2-heptan-2-ylquinoline

C16H19Cl2N — CID 102202973

IUPAC4,7-dichloro-2-heptan-2-ylquinoline
SMILESCCCCCC(C)c1cc(Cl)c2ccc(Cl)cc2n1
InChIInChI=1S/C16H19Cl2N/c1-3-4-5-6-11(2)15-10-14(18)13-8-7-12(17)9-16(13)19-15/h7-11H,3-6H2,1-2H3
InChIKeyDKWGQZBEXAYDHP-UHFFFAOYSA-N
MW296.24 g/mol
LogP6.23
Rot. Bonds5

About 4,7-dichloro-2-heptan-2-ylquinoline

4,7-dichloro-2-heptan-2-ylquinoline (PubChem CID 102202973) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 4,7-dichloro-2-heptan-2-ylquinoline.

Molecular Properties

Compound Name4,7-dichloro-2-heptan-2-ylquinoline
PubChem CID102202973
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name4,7-dichloro-2-heptan-2-ylquinoline
SMILESCCCCCC(C)c1cc(Cl)c2ccc(Cl)cc2n1
InChIInChI=1S/C16H19Cl2N/c1-3-4-5-6-11(2)15-10-14(18)13-8-7-12(17)9-16(13)19-15/h7-11H,3-6H2,1-2H3
InChIKeyDKWGQZBEXAYDHP-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.24
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-octan-2-ylpyridine
CID 130320586
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
N-[2-(2,4-dichlorophenyl)ethyl]heptan-2-amine
CID 43099770
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
[(1S)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethyl]-pentylazanium
CID 135622591
7-chloro-2-undecyl-3,1-benzoxazin-4-one
CID 606775
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
CID 139757285
1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-heptan-2-ylquinoline?
The IUPAC name of 4,7-dichloro-2-heptan-2-ylquinoline (CID 102202973) is 4,7-dichloro-2-heptan-2-ylquinoline.
What is the SMILES notation for 4,7-dichloro-2-heptan-2-ylquinoline?
The canonical SMILES for 4,7-dichloro-2-heptan-2-ylquinoline is CCCCCC(C)c1cc(Cl)c2ccc(Cl)cc2n1.
What is the InChIKey of 4,7-dichloro-2-heptan-2-ylquinoline?
The InChIKey is DKWGQZBEXAYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N/c1-3-4-5-6-11(2)15-10-14(18)13-8-7-12(17)9-16(13)19-15/h7-11H,3-6H2,1-2H3.
What are the key properties of 4,7-dichloro-2-heptan-2-ylquinoline?
4,7-dichloro-2-heptan-2-ylquinoline has a molecular weight of 296.24 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-heptan-2-ylquinoline is sourced from PubChem (CID 102202973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).