4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide

C20H19N3O5 — CID 166095714

IUPAC4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc(NC(C)=O)cc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)c1
InChIInChI=1S/C20H19N3O5/c1-11(24)23-12-6-13(26-2)8-14(7-12)28-18-4-5-22-17-10-19(27-3)16(20(21)25)9-15(17)18/h4-10H,1-3H3,(H2,21,25)(H,23,24)
InChIKeyDOYYCPWGJLRGGQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.10
Rot. Bonds6

About 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide

4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 166095714) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
PubChem CID166095714
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc(NC(C)=O)cc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)c1
InChIInChI=1S/C20H19N3O5/c1-11(24)23-12-6-13(26-2)8-14(7-12)28-18-4-5-22-17-10-19(27-3)16(20(21)25)9-15(17)18/h4-10H,1-3H3,(H2,21,25)(H,23,24)
InChIKeyDOYYCPWGJLRGGQ-UHFFFAOYSA-N
XLogP3.10
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
4-[5-[(3,4-dimethylphenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 175933294
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide (CID 166095714) is 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide is COc1cc(NC(C)=O)cc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)c1.
What is the InChIKey of 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is DOYYCPWGJLRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-11(24)23-12-6-13(26-2)8-14(7-12)28-18-4-5-22-17-10-19(27-3)16(20(21)25)9-15(17)18/h4-10H,1-3H3,(H2,21,25)(H,23,24).
What are the key properties of 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide?
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 166095714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).