[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate

C30H31ClN4O6 — CID 66891712

IUPAC[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCOc1c(C(=O)NC2CCN(C(=O)COC(C)=O)CC2)n(C)c2c1c(=O)n(Cc1ccccc1Cl)c1ccccc21
InChIInChI=1S/C30H31ClN4O6/c1-18(36)41-17-24(37)34-14-12-20(13-15-34)32-29(38)27-28(40-3)25-26(33(27)2)21-9-5-7-11-23(21)35(30(25)39)16-19-8-4-6-10-22(19)31/h4-11,20H,12-17H2,1-3H3,(H,32,38)
InChIKeyBZOMUTTWOBBHIZ-UHFFFAOYSA-N
MW579.05 g/mol
LogP3.49
Rot. Bonds7

About [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate

[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate (PubChem CID 66891712) has the molecular formula C30H31ClN4O6 and a molecular weight of 579.05 g/mol. Its IUPAC name is [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
PubChem CID66891712
Molecular FormulaC30H31ClN4O6
Molecular Weight579.05 g/mol
Exact Mass578.19
IUPAC Name[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
SMILESCOc1c(C(=O)NC2CCN(C(=O)COC(C)=O)CC2)n(C)c2c1c(=O)n(Cc1ccccc1Cl)c1ccccc21
InChIInChI=1S/C30H31ClN4O6/c1-18(36)41-17-24(37)34-14-12-20(13-15-34)32-29(38)27-28(40-3)25-26(33(27)2)21-9-5-7-11-23(21)35(30(25)39)16-19-8-4-6-10-22(19)31/h4-11,20H,12-17H2,1-3H3,(H,32,38)
InChIKeyBZOMUTTWOBBHIZ-UHFFFAOYSA-N
XLogP3.49
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.05
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate 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

N-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035
N-[(1S,2S)-2-aminocyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893032
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856764
tert-butyl 2-[3-[(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]acetate
CID 58092822
tert-butyl-[1-(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)piperidin-4-yl]carbamic acid
CID 66892968
3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 70973256
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate (CID 66891712) is [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate is COc1c(C(=O)NC2CCN(C(=O)COC(C)=O)CC2)n(C)c2c1c(=O)n(Cc1ccccc1Cl)c1ccccc21.
What is the InChIKey of [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is BZOMUTTWOBBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O6/c1-18(36)41-17-24(37)34-14-12-20(13-15-34)32-29(38)27-28(40-3)25-26(33(27)2)21-9-5-7-11-23(21)35(30(25)39)16-19-8-4-6-10-22(19)31/h4-11,20H,12-17H2,1-3H3,(H,32,38).
What are the key properties of [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate?
[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 579.05 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 66891712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).