1-chloronaphthalene;2-methylquinoline

C20H16ClN — CID 175049880

IUPAC1-chloronaphthalene;2-methylquinoline
SMILESCc1ccc2ccccc2n1.Clc1cccc2ccccc12
InChIInChI=1S/C10H7Cl.C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8/h1-7H;2-7H,1H3
InChIKeyZTPQSNMBKDTJPR-UHFFFAOYSA-N
MW305.81 g/mol
LogP6.04
Rot. Bonds

About 1-chloronaphthalene;2-methylquinoline

1-chloronaphthalene;2-methylquinoline (PubChem CID 175049880) has the molecular formula C20H16ClN and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-chloronaphthalene;2-methylquinoline.

Molecular Properties

Compound Name1-chloronaphthalene;2-methylquinoline
PubChem CID175049880
Molecular FormulaC20H16ClN
Molecular Weight305.81 g/mol
Exact Mass305.10
IUPAC Name1-chloronaphthalene;2-methylquinoline
SMILESCc1ccc2ccccc2n1.Clc1cccc2ccccc12
InChIInChI=1S/C10H7Cl.C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8/h1-7H;2-7H,1H3
InChIKeyZTPQSNMBKDTJPR-UHFFFAOYSA-N
XLogP6.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalene;2-methylquinoline?
The IUPAC name of 1-chloronaphthalene;2-methylquinoline (CID 175049880) is 1-chloronaphthalene;2-methylquinoline.
What is the SMILES notation for 1-chloronaphthalene;2-methylquinoline?
The canonical SMILES for 1-chloronaphthalene;2-methylquinoline is Cc1ccc2ccccc2n1.Clc1cccc2ccccc12.
What is the InChIKey of 1-chloronaphthalene;2-methylquinoline?
The InChIKey is ZTPQSNMBKDTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl.C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-8-6-7-9-4-2-3-5-10(9)11-8/h1-7H;2-7H,1H3.
What are the key properties of 1-chloronaphthalene;2-methylquinoline?
1-chloronaphthalene;2-methylquinoline has a molecular weight of 305.81 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalene;2-methylquinoline is sourced from PubChem (CID 175049880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).