N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide

C26H28FN5O3 — CID 58000001

IUPACN-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCOc1c2c(c(N(C)C(=O)N3CCN(C)CC3)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H28FN5O3/c1-29-11-13-31(14-12-29)26(34)30(2)23-19-5-4-10-28-22(19)24(35-3)21-20(23)16-32(25(21)33)15-17-6-8-18(27)9-7-17/h4-10H,11-16H2,1-3H3
InChIKeyPNOCYYQTRKTUII-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.34
Rot. Bonds4

About N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide

N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide (PubChem CID 58000001) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide
PubChem CID58000001
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCOc1c2c(c(N(C)C(=O)N3CCN(C)CC3)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C26H28FN5O3/c1-29-11-13-31(14-12-29)26(34)30(2)23-19-5-4-10-28-22(19)24(35-3)21-20(23)16-32(25(21)33)15-17-6-8-18(27)9-7-17/h4-10H,11-16H2,1-3H3
InChIKeyPNOCYYQTRKTUII-UHFFFAOYSA-N
XLogP3.34
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide 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

[7-[(4-fluorophenyl)methyl]-8-oxo-9-tri(propan-2-yl)silyloxy-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-(dimethylcarbamoyl)piperazine-1-carboxylate
CID 58928891
N-(7-benzyl-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl)-N-methylmethanesulfinamide
CID 71156932
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate;ethane
CID 142886119
N-[7-[(4-fluorophenyl)methyl]-9-methylphosphanyloxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 71213763
9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 58652689
2-(4-acetyl-1-methylpiperazin-1-ium-1-yl)-N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylethanesulfonamide
CID 59682768
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N,N-diethylcarbamate
CID 58929011
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one
CID 135410954
7-[(4-fluorophenyl)methyl]-5,9-dihydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 136654920
N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-3-morpholin-4-ylpropane-1-sulfonamide
CID 58836681
7-[(4-fluorophenyl)methyl]-5-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]oxy]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 142780121
[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylcarbamate;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylcarbamate
CID 159961673

Frequently Asked Questions

What is the IUPAC name of N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide (CID 58000001) is N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide is COc1c2c(c(N(C)C(=O)N3CCN(C)CC3)c3cccnc13)CN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide?
The InChIKey is PNOCYYQTRKTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-29-11-13-31(14-12-29)26(34)30(2)23-19-5-4-10-28-22(19)24(35-3)21-20(23)16-32(25(21)33)15-17-6-8-18(27)9-7-17/h4-10H,11-16H2,1-3H3.
What are the key properties of N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide?
N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(4-fluorophenyl)methyl]-9-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 58000001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).