(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate

C23H24N2O4 — CID 59527580

IUPAC(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCc1c(COC(=O)N2CCOCC2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C23H24N2O4/c1-17-21(16-29-23(26)25-11-13-27-14-12-25)24-20-10-6-5-9-19(20)22(17)28-15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyLFLCRCRIZDKRRL-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.09
Rot. Bonds5

About (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate

(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate (PubChem CID 59527580) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
PubChem CID59527580
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
SMILESCc1c(COC(=O)N2CCOCC2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C23H24N2O4/c1-17-21(16-29-23(26)25-11-13-27-14-12-25)24-20-10-6-5-9-19(20)22(17)28-15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyLFLCRCRIZDKRRL-UHFFFAOYSA-N
XLogP4.09
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate
CID 70839227
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
N-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl]-1-phenylmethanamine
CID 59526922
1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
CID 59526930
benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 154187740
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
CID 59526991
(3-methyl-4-oxo-1H-quinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527158
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
CID 59526978
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate?
The IUPAC name of (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate (CID 59527580) is (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate.
What is the SMILES notation for (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate?
The canonical SMILES for (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate is Cc1c(COC(=O)N2CCOCC2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate?
The InChIKey is LFLCRCRIZDKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-21(16-29-23(26)25-11-13-27-14-12-25)24-20-10-6-5-9-19(20)22(17)28-15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate?
(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate is sourced from PubChem (CID 59527580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).