6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one

C15H17ClN2O2 — CID 730781

IUPAC6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CCOCC1
InChIInChI=1S/C15H17ClN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19)
InChIKeyUFEINPDQTIZZNZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.32
Rot. Bonds2

About 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one

6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one (PubChem CID 730781) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
PubChem CID730781
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CCOCC1
InChIInChI=1S/C15H17ClN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19)
InChIKeyUFEINPDQTIZZNZ-UHFFFAOYSA-N
XLogP2.32
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
3-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 16832269
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137955
6-chloro-2-methyl-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 98089157
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 2240733
methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730968
2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 730803
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730962
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one (CID 730781) is 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CCOCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The InChIKey is UFEINPDQTIZZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-13(9-18-4-6-20-7-5-18)15(19)12-8-11(16)2-3-14(12)17-10/h2-3,8H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one has a molecular weight of 292.77 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 730781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).