4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane

C19H19ClN2O4 — CID 145166636

IUPAC4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
SMILESCOC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C=O
InChIInChI=1S/C17H13ClN2O3.C2H6O/c1-22-17-8-15-12(6-10(17)9-21)16(4-5-20-15)23-11-2-3-14(19)13(18)7-11;1-3-2/h2-9H,19H2,1H3;1-2H3
InChIKeyRBPNAUFGSMHLHH-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.35
Rot. Bonds4

About 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane

4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane (PubChem CID 145166636) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
PubChem CID145166636
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
SMILESCOC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C=O
InChIInChI=1S/C17H13ClN2O3.C2H6O/c1-22-17-8-15-12(6-10(17)9-21)16(4-5-20-15)23-11-2-3-14(19)13(18)7-11;1-3-2/h2-9H,19H2,1H3;1-2H3
InChIKeyRBPNAUFGSMHLHH-UHFFFAOYSA-N
XLogP4.35
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
1-[2-chloro-4-(6-formyl-7-methoxyquinolin-4-yl)oxyphenyl]-3-cyclopropylthiourea
CID 145166585
N-[2-chloro-4-(6-formyl-7-methoxyquinolin-4-yl)oxyphenyl]-3-fluoro-3-methylazetidine-1-carbothioamide
CID 145166819
4-[3-chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carbaldehyde;methanamine
CID 145166619
ethyl 1-[[2-chloro-4-(6-formyl-7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropane-1-carboxylate
CID 134334002
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-3-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carbaldehyde
CID 134334024
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 159385816
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane (CID 145166636) is 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane is COC.COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C=O.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane?
The InChIKey is RBPNAUFGSMHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3.C2H6O/c1-22-17-8-15-12(6-10(17)9-21)16(4-5-20-15)23-11-2-3-14(19)13(18)7-11;1-3-2/h2-9H,19H2,1H3;1-2H3.
What are the key properties of 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane?
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane has a molecular weight of 374.82 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane is sourced from PubChem (CID 145166636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).