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

C19H20Cl2N2O2 — CID 161343295

IUPAC2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
SMILESCC1(O)CCCc2ccc(Cl)nc21.O=C1CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClNO.C9H8ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5,13H,2-3,6H2,1H3;4-5H,1-3H2
InChIKeyVMYPSQLVOYMCJJ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.53
Rot. Bonds

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

2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol (PubChem CID 161343295) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
PubChem CID161343295
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
SMILESCC1(O)CCCc2ccc(Cl)nc21.O=C1CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClNO.C9H8ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5,13H,2-3,6H2,1H3;4-5H,1-3H2
InChIKeyVMYPSQLVOYMCJJ-UHFFFAOYSA-N
XLogP4.53
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
CID 118664076
2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 155193886
2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine
CID 102417044
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154379577
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
2-chloro-3-ethyl-6,7-dihydro-5H-quinolin-8-one
CID 91617307
tert-butyl N-(2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)carbamate
CID 171624143
8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline
CID 118663693
2-amino-4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 155451536
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
CID 15224570
4-[(8-hydroxy-8-methyl-6,7-dihydro-5H-quinolin-2-yl)amino]-2-methylsulfanyl-N-prop-2-enylpyrimidine-5-carboxamide
CID 167097433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The IUPAC name of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol (CID 161343295) is 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol is CC1(O)CCCc2ccc(Cl)nc21.O=C1CCCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
The InChIKey is VMYPSQLVOYMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.C9H8ClNO/c1-10(13)6-2-3-7-4-5-8(11)12-9(7)10;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5,13H,2-3,6H2,1H3;4-5H,1-3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol?
2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol has a molecular weight of 379.29 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol is sourced from PubChem (CID 161343295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).