N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide

C16H13N3O2 — CID 107697606

IUPACN-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
SMILESNc1cc(O)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H13N3O2/c17-13-9-10(20)5-6-15(13)19-16(21)12-7-8-18-14-4-2-1-3-11(12)14/h1-9,20H,17H2,(H,19,21)
InChIKeyMADFPCSJDGMKHZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.77
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide

N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide (PubChem CID 107697606) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
PubChem CID107697606
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
SMILESNc1cc(O)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C16H13N3O2/c17-13-9-10(20)5-6-15(13)19-16(21)12-7-8-18-14-4-2-1-3-11(12)14/h1-9,20H,17H2,(H,19,21)
InChIKeyMADFPCSJDGMKHZ-UHFFFAOYSA-N
XLogP2.77
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
CID 91238971
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide (CID 107697606) is N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide is Nc1cc(O)ccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide?
The InChIKey is MADFPCSJDGMKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-13-9-10(20)5-6-15(13)19-16(21)12-7-8-18-14-4-2-1-3-11(12)14/h1-9,20H,17H2,(H,19,21).
What are the key properties of N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide?
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 107697606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).