7-chloro-4-methyl-2,3-dihydroquinoline

C10H10ClN — CID 142342570

IUPAC7-chloro-4-methyl-2,3-dihydroquinoline
SMILESCC1=c2ccc(Cl)cc2=NCC1
InChIInChI=1S/C10H10ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6H,4-5H2,1H3
InChIKeyGTDRBIYPFLSGQQ-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.53
Rot. Bonds

About 7-chloro-4-methyl-2,3-dihydroquinoline

7-chloro-4-methyl-2,3-dihydroquinoline (PubChem CID 142342570) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 7-chloro-4-methyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name7-chloro-4-methyl-2,3-dihydroquinoline
PubChem CID142342570
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name7-chloro-4-methyl-2,3-dihydroquinoline
SMILESCC1=c2ccc(Cl)cc2=NCC1
InChIInChI=1S/C10H10ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6H,4-5H2,1H3
InChIKeyGTDRBIYPFLSGQQ-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2,3-dihydroquinoline?
The IUPAC name of 7-chloro-4-methyl-2,3-dihydroquinoline (CID 142342570) is 7-chloro-4-methyl-2,3-dihydroquinoline.
What is the SMILES notation for 7-chloro-4-methyl-2,3-dihydroquinoline?
The canonical SMILES for 7-chloro-4-methyl-2,3-dihydroquinoline is CC1=c2ccc(Cl)cc2=NCC1.
What is the InChIKey of 7-chloro-4-methyl-2,3-dihydroquinoline?
The InChIKey is GTDRBIYPFLSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-4-methyl-2,3-dihydroquinoline?
7-chloro-4-methyl-2,3-dihydroquinoline has a molecular weight of 179.65 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2,3-dihydroquinoline is sourced from PubChem (CID 142342570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).