4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide

C21H20N4O4 — CID 69373218

IUPAC4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(C(=O)NC4CC4)cc3N)c2cc1C(N)=O
InChIInChI=1S/C21H20N4O4/c1-28-19-10-16-13(9-14(19)20(23)26)17(6-7-24-16)29-18-5-2-11(8-15(18)22)21(27)25-12-3-4-12/h2,5-10,12H,3-4,22H2,1H3,(H2,23,26)(H,25,27)
InChIKeyHEOCNDUULZOAFW-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.61
Rot. Bonds6

About 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide

4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 69373218) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID69373218
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(C(=O)NC4CC4)cc3N)c2cc1C(N)=O
InChIInChI=1S/C21H20N4O4/c1-28-19-10-16-13(9-14(19)20(23)26)17(6-7-24-16)29-18-5-2-11(8-15(18)22)21(27)25-12-3-4-12/h2,5-10,12H,3-4,22H2,1H3,(H2,23,26)(H,25,27)
InChIKeyHEOCNDUULZOAFW-UHFFFAOYSA-N
XLogP2.61
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide;4-methylbenzenesulfonic acid
CID 50923982
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 58272598
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
CID 67305858
N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 69446942
4-[3-chloro-4-[[(Z)-1-(cyclobutylamino)prop-1-enyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 145166651
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
4-[4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 58931475
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide (CID 69373218) is 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(C(=O)NC4CC4)cc3N)c2cc1C(N)=O.
What is the InChIKey of 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is HEOCNDUULZOAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-28-19-10-16-13(9-14(19)20(23)26)17(6-7-24-16)29-18-5-2-11(8-15(18)22)21(27)25-12-3-4-12/h2,5-10,12H,3-4,22H2,1H3,(H2,23,26)(H,25,27).
What are the key properties of 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 69373218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).