methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate

C19H22N2O4 — CID 97209450

IUPACmethyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2ccn([C@@H](C)C(=O)NC3CCCC3)c(=O)c2c1
InChIInChI=1S/C19H22N2O4/c1-12(17(22)20-15-5-3-4-6-15)21-10-9-13-7-8-14(19(24)25-2)11-16(13)18(21)23/h7-12,15H,3-6H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyILOYSXHREYTWHJ-LBPRGKRZSA-N
MW342.40 g/mol
LogP2.41
Rot. Bonds4

About methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate

methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate (PubChem CID 97209450) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
PubChem CID97209450
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2ccn([C@@H](C)C(=O)NC3CCCC3)c(=O)c2c1
InChIInChI=1S/C19H22N2O4/c1-12(17(22)20-15-5-3-4-6-15)21-10-9-13-7-8-14(19(24)25-2)11-16(13)18(21)23/h7-12,15H,3-6H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyILOYSXHREYTWHJ-LBPRGKRZSA-N
XLogP2.41
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate with MolForge

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Related Compounds

methyl 2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
CID 97209451
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
methyl 2-(2-anilinoethyl)-1-oxoisoquinoline-7-carboxylate
CID 123998669
methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate
CID 19744362
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
methyl 1-oxo-2-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]isoquinoline-7-carboxylate
CID 97195665
methyl 2-(cyclohexylmethylsulfanyl)-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate
CID 7849075
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
(2S)-2-(5-bromo-2-oxo-1-pyridinyl)-N-cyclopentylpropanamide
CID 8891311
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N-cyclopropyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395130
methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380125

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate?
The IUPAC name of methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate (CID 97209450) is methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate.
What is the SMILES notation for methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate?
The canonical SMILES for methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate is COC(=O)c1ccc2ccn([C@@H](C)C(=O)NC3CCCC3)c(=O)c2c1.
What is the InChIKey of methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate?
The InChIKey is ILOYSXHREYTWHJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(17(22)20-15-5-3-4-6-15)21-10-9-13-7-8-14(19(24)25-2)11-16(13)18(21)23/h7-12,15H,3-6H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate?
methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate is sourced from PubChem (CID 97209450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).