5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol

C10H12ClNO — CID 105451209

IUPAC5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
SMILESCC1(O)CNc2cccc(Cl)c2C1
InChIInChI=1S/C10H12ClNO/c1-10(13)5-7-8(11)3-2-4-9(7)12-6-10/h2-4,12-13H,5-6H2,1H3
InChIKeyNRTITSPHYZQHJC-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.06
Rot. Bonds

About 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol

5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol (PubChem CID 105451209) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
PubChem CID105451209
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
SMILESCC1(O)CNc2cccc(Cl)c2C1
InChIInChI=1S/C10H12ClNO/c1-10(13)5-7-8(11)3-2-4-9(7)12-6-10/h2-4,12-13H,5-6H2,1H3
InChIKeyNRTITSPHYZQHJC-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol (CID 105451209) is 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol is CC1(O)CNc2cccc(Cl)c2C1.
What is the InChIKey of 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol?
The InChIKey is NRTITSPHYZQHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(13)5-7-8(11)3-2-4-9(7)12-6-10/h2-4,12-13H,5-6H2,1H3.
What are the key properties of 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol?
5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol has a molecular weight of 197.67 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 105451209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).