3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol

C21H22N2O2 — CID 169415857

IUPAC3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
SMILESCc1cc(-c2cccc(O)c2)nc2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C21H22N2O2/c1-15-11-21(17-3-2-4-18(24)13-17)22-20-6-5-16(12-19(15)20)14-23-7-9-25-10-8-23/h2-6,11-13,24H,7-10,14H2,1H3
InChIKeyHMUCGXVMGCPIOG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.75
Rot. Bonds3

About 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol

3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol (PubChem CID 169415857) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
PubChem CID169415857
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
SMILESCc1cc(-c2cccc(O)c2)nc2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C21H22N2O2/c1-15-11-21(17-3-2-4-18(24)13-17)22-20-6-5-16(12-19(15)20)14-23-7-9-25-10-8-23/h2-6,11-13,24H,7-10,14H2,1H3
InChIKeyHMUCGXVMGCPIOG-UHFFFAOYSA-N
XLogP3.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
CID 170502682
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
5-[4-methyl-6-(pyrrolidin-1-ylmethyl)quinolin-2-yl]-1H-pyridin-2-one
CID 169418552
3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
CID 90038512
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
3-[4-(2-morpholin-4-ylethyl)phenyl]phenol
CID 70092617
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol?
The IUPAC name of 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol (CID 169415857) is 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol.
What is the SMILES notation for 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol?
The canonical SMILES for 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol is Cc1cc(-c2cccc(O)c2)nc2ccc(CN3CCOCC3)cc12.
What is the InChIKey of 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol?
The InChIKey is HMUCGXVMGCPIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-11-21(17-3-2-4-18(24)13-17)22-20-6-5-16(12-19(15)20)14-23-7-9-25-10-8-23/h2-6,11-13,24H,7-10,14H2,1H3.
What are the key properties of 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol?
3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol is sourced from PubChem (CID 169415857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).