[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate

C29H35ClN2O7 — CID 130247516

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate
SMILESCOc1cc2nc(C)c(-c3ccccc3C)c(OCOC(=O)OCCCN(C)C(=O)OC(C)(C)C)c2cc1Cl
InChIInChI=1S/C29H35ClN2O7/c1-18-11-8-9-12-20(18)25-19(2)31-23-16-24(35-7)22(30)15-21(23)26(25)37-17-38-28(34)36-14-10-13-32(6)27(33)39-29(3,4)5/h8-9,11-12,15-16H,10,13-14,17H2,1-7H3
InChIKeyOSNDMASNTOLFGY-UHFFFAOYSA-N
MW559.06 g/mol
LogP6.93
Rot. Bonds9

About [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate (PubChem CID 130247516) has the molecular formula C29H35ClN2O7 and a molecular weight of 559.06 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate
PubChem CID130247516
Molecular FormulaC29H35ClN2O7
Molecular Weight559.06 g/mol
Exact Mass558.21
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate
SMILESCOc1cc2nc(C)c(-c3ccccc3C)c(OCOC(=O)OCCCN(C)C(=O)OC(C)(C)C)c2cc1Cl
InChIInChI=1S/C29H35ClN2O7/c1-18-11-8-9-12-20(18)25-19(2)31-23-16-24(35-7)22(30)15-21(23)26(25)37-17-38-28(34)36-14-10-13-32(6)27(33)39-29(3,4)5/h8-9,11-12,15-16H,10,13-14,17H2,1-7H3
InChIKeyOSNDMASNTOLFGY-UHFFFAOYSA-N
XLogP6.93
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.06
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate 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

tert-butyl N-[2-[4-(6-fluoro-7-methoxy-4-methylquinolin-2-yl)phenyl]sulfanylethyl]-N-methylcarbamate
CID 177173112
tert-butyl N-[2-[4-[4-chloro-7-(dimethylamino)-6-methoxyquinolin-2-yl]phenoxy]ethyl]-N-methylcarbamate
CID 177172699
tert-butyl N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylcarbamate
CID 21068496
tert-butyl N-[2-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,3-dimethoxyphenyl]phenyl]ethyl]-N-methylcarbamate
CID 10950758
3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
tert-butyl N-[4-(4-bromo-2-chloro-5-methoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 129032583
tert-butyl N-[[4-(6,7-dimethoxyquinolin-4-yl)phenyl]methyl]-N-methylcarbamate
CID 154630901
tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
CID 58797775
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[5-(4-bromo-2-chloro-5-methoxyanilino)-5-oxopentyl]-N-methylcarbamate
CID 129032587
tert-butyl N-(7-chloro-6-methoxyquinolin-2-yl)-N-(3-methylbutyl)carbamate
CID 165122546
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245

Frequently Asked Questions

What is the IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate (CID 130247516) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate is COc1cc2nc(C)c(-c3ccccc3C)c(OCOC(=O)OCCCN(C)C(=O)OC(C)(C)C)c2cc1Cl.
What is the InChIKey of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate?
The InChIKey is OSNDMASNTOLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2O7/c1-18-11-8-9-12-20(18)25-19(2)31-23-16-24(35-7)22(30)15-21(23)26(25)37-17-38-28(34)36-14-10-13-32(6)27(33)39-29(3,4)5/h8-9,11-12,15-16H,10,13-14,17H2,1-7H3.
What are the key properties of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate has a molecular weight of 559.06 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl carbonate is sourced from PubChem (CID 130247516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).