methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate

C15H15ClN2O3 — CID 104775264

IUPACmethyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H15ClN2O3/c1-20-15(19)14-9-21-7-6-18(14)13-4-5-17-12-8-10(16)2-3-11(12)13/h2-5,8,14H,6-7,9H2,1H3
InChIKeyAZORHVWUTRSZKU-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.27
Rot. Bonds2

About methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate

methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate (PubChem CID 104775264) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
PubChem CID104775264
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namemethyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H15ClN2O3/c1-20-15(19)14-9-21-7-6-18(14)13-4-5-17-12-8-10(16)2-3-11(12)13/h2-5,8,14H,6-7,9H2,1H3
InChIKeyAZORHVWUTRSZKU-UHFFFAOYSA-N
XLogP2.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(5-chloro-2-nitrophenyl)morpholine-3-carboxylate
CID 104775116
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115670216
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482350
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
CID 104774614
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate (CID 104775264) is methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate?
The InChIKey is AZORHVWUTRSZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-15(19)14-9-21-7-6-18(14)13-4-5-17-12-8-10(16)2-3-11(12)13/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate?
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate is sourced from PubChem (CID 104775264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).