2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol

C10H12ClNO — CID 118664076

IUPAC2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
SMILESCC1(O)CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10/h4-5,13H,2-3,6H2,1H3
InChIKeyYQRXULPVMPCWCT-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.28
Rot. Bonds

About 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol

2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol (PubChem CID 118664076) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol.

Molecular Properties

Compound Name2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
PubChem CID118664076
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
SMILESCC1(O)CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10/h4-5,13H,2-3,6H2,1H3
InChIKeyYQRXULPVMPCWCT-UHFFFAOYSA-N
XLogP2.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The IUPAC name of 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol (CID 118664076) is 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol.
What is the SMILES notation for 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The canonical SMILES for 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol is CC1(O)CCCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The InChIKey is YQRXULPVMPCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10/h4-5,13H,2-3,6H2,1H3.
What are the key properties of 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol has a molecular weight of 197.67 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol is sourced from PubChem (CID 118664076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).