4-(2-aminophenoxy)quinoline-3-carboxamide

C16H13N3O2 — CID 61028338

IUPAC4-(2-aminophenoxy)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1Oc1ccccc1N
InChIInChI=1S/C16H13N3O2/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)19-9-11(15)16(18)20/h1-9H,17H2,(H2,18,20)
InChIKeyATZIIONFZBCJBI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-aminophenoxy)quinoline-3-carboxamide

4-(2-aminophenoxy)quinoline-3-carboxamide (PubChem CID 61028338) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(2-aminophenoxy)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)quinoline-3-carboxamide
PubChem CID61028338
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(2-aminophenoxy)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1Oc1ccccc1N
InChIInChI=1S/C16H13N3O2/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)19-9-11(15)16(18)20/h1-9H,17H2,(H2,18,20)
InChIKeyATZIIONFZBCJBI-UHFFFAOYSA-N
XLogP2.71
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
4-[(2-methylpropan-2-yl)oxy]quinoline-3-carbothioamide
CID 43669739
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
2-(7-aminoquinolin-4-yl)oxybenzamide
CID 103002186
[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
CID 43669445
4-(2,5-dichlorophenoxy)quinolin-3-amine
CID 103963597
2-(5-iodopyrimidin-2-yl)oxybenzamide
CID 116649139
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)quinoline-3-carboxamide?
The IUPAC name of 4-(2-aminophenoxy)quinoline-3-carboxamide (CID 61028338) is 4-(2-aminophenoxy)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-aminophenoxy)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-aminophenoxy)quinoline-3-carboxamide is NC(=O)c1cnc2ccccc2c1Oc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)quinoline-3-carboxamide?
The InChIKey is ATZIIONFZBCJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-12-6-2-4-8-14(12)21-15-10-5-1-3-7-13(10)19-9-11(15)16(18)20/h1-9H,17H2,(H2,18,20).
What are the key properties of 4-(2-aminophenoxy)quinoline-3-carboxamide?
4-(2-aminophenoxy)quinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)quinoline-3-carboxamide is sourced from PubChem (CID 61028338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).