methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate

C24H25N3O3 — CID 8910715

IUPACmethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CC(=O)NC2CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-27(15-21(28)25-17-12-13-17)14-20-23(24(29)30-2)22(16-8-4-3-5-9-16)18-10-6-7-11-19(18)26-20/h3-11,17H,12-15H2,1-2H3,(H,25,28)
InChIKeyYTMKJRLIXRAOAY-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.40
Rot. Bonds7

About methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate

methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 8910715) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
PubChem CID8910715
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN(C)CC(=O)NC2CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-27(15-21(28)25-17-12-13-17)14-20-23(24(29)30-2)22(16-8-4-3-5-9-16)18-10-6-7-11-19(18)26-20/h3-11,17H,12-15H2,1-2H3,(H,25,28)
InChIKeyYTMKJRLIXRAOAY-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
CID 112799764
methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8694980
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 26623752
methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
methyl 2-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate
CID 8846540
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 46538622
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
N-cyclopropyl-2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]acetamide
CID 55127585
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
CID 139242418
methyl 2-[(4-cyanobenzoyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 18293252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate (CID 8910715) is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(CN(C)CC(=O)NC2CC2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is YTMKJRLIXRAOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27(15-21(28)25-17-12-13-17)14-20-23(24(29)30-2)22(16-8-4-3-5-9-16)18-10-6-7-11-19(18)26-20/h3-11,17H,12-15H2,1-2H3,(H,25,28).
What are the key properties of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 8910715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).