methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

C22H26N4O3 — CID 169421884

IUPACmethyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-25-9-11-26(12-10-25)17-6-3-15(4-7-17)19-14-21(27)24-20-13-16(5-8-18(19)20)23-22(28)29-2/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyQRDKHCJQNFVIGH-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.09
Rot. Bonds3

About methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate

methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (PubChem CID 169421884) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
PubChem CID169421884
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Namemethyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-25-9-11-26(12-10-25)17-6-3-15(4-7-17)19-14-21(27)24-20-13-16(5-8-18(19)20)23-22(28)29-2/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyQRDKHCJQNFVIGH-UHFFFAOYSA-N
XLogP3.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate with MolForge

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Related Compounds

methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 170512777
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
1-(cyclopropylmethyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416644
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
tert-butyl N-[4-[2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl]phenyl]carbamate
CID 177198205
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 169414401
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95128759

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The IUPAC name of methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate (CID 169421884) is methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The canonical SMILES for methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The InChIKey is QRDKHCJQNFVIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25-9-11-26(12-10-25)17-6-3-15(4-7-17)19-14-21(27)24-20-13-16(5-8-18(19)20)23-22(28)29-2/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate?
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate has a molecular weight of 394.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 169421884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).