4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide

C24H25ClN4O5 — CID 16736320

IUPAC4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3cc(C=O)c(NC4CC4)c(Cl)c3N)ccnc2cc1OCCOC
InChIInChI=1S/C24H25ClN4O5/c1-27-24(31)16-10-15-17(11-19(16)33-8-7-32-2)28-6-5-18(15)34-20-9-13(12-30)23(21(25)22(20)26)29-14-3-4-14/h5-6,9-12,14,29H,3-4,7-8,26H2,1-2H3,(H,27,31)
InChIKeyGGWMQTZTBSJVDP-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.03
Rot. Bonds10

About 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide

4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide (PubChem CID 16736320) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
PubChem CID16736320
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Name4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3cc(C=O)c(NC4CC4)c(Cl)c3N)ccnc2cc1OCCOC
InChIInChI=1S/C24H25ClN4O5/c1-27-24(31)16-10-15-17(11-19(16)33-8-7-32-2)28-6-5-18(15)34-20-9-13(12-30)23(21(25)22(20)26)29-14-3-4-14/h5-6,9-12,14,29H,3-4,7-8,26H2,1-2H3,(H,27,31)
InChIKeyGGWMQTZTBSJVDP-UHFFFAOYSA-N
XLogP4.03
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[2-amino-3-chloro-4-(ethylamino)-5-formylphenoxy]-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 16735411
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-ethyl-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 22936717
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 58931475
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
CID 67305858
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 11540329
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
4-[4-(cyclopropylcarbamoylamino)-3-(iodomethyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 89337940
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272228
7-methoxy-N-methyl-4-(4-nitrosophenoxy)quinoline-6-carboxamide
CID 88925531

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The IUPAC name of 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide (CID 16736320) is 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The canonical SMILES for 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3cc(C=O)c(NC4CC4)c(Cl)c3N)ccnc2cc1OCCOC.
What is the InChIKey of 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The InChIKey is GGWMQTZTBSJVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-27-24(31)16-10-15-17(11-19(16)33-8-7-32-2)28-6-5-18(15)34-20-9-13(12-30)23(21(25)22(20)26)29-14-3-4-14/h5-6,9-12,14,29H,3-4,7-8,26H2,1-2H3,(H,27,31).
What are the key properties of 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 4.03, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-chloro-4-(cyclopropylamino)-5-formylphenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 16736320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).