N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide

C22H15N3O3 — CID 142724022

IUPACN-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc12
InChIInChI=1S/C22H15N3O3/c26-22(19-12-13-23-20-10-3-2-9-18(19)20)24-21-11-4-1-8-17(21)15-6-5-7-16(14-15)25(27)28/h1-14H,(H,24,26)
InChIKeyITHNOEAUIFITGZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.06
Rot. Bonds4

About N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide

N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide (PubChem CID 142724022) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide
PubChem CID142724022
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1-c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc12
InChIInChI=1S/C22H15N3O3/c26-22(19-12-13-23-20-10-3-2-9-18(19)20)24-21-11-4-1-8-17(21)15-6-5-7-16(14-15)25(27)28/h1-14H,(H,24,26)
InChIKeyITHNOEAUIFITGZ-UHFFFAOYSA-N
XLogP5.06
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
CID 142723917
N-[6-(4-nitrophenyl)pyrimidin-4-yl]quinoline-4-carboxamide
CID 142724100
N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
CID 91238971
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
(E)-4-(3-nitrophenyl)-3-quinolin-4-ylbut-3-en-2-one
CID 19107306
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide (CID 142724022) is N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccccc1-c1cccc([N+](=O)[O-])c1)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide?
The InChIKey is ITHNOEAUIFITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-22(19-12-13-23-20-10-3-2-9-18(19)20)24-21-11-4-1-8-17(21)15-6-5-7-16(14-15)25(27)28/h1-14H,(H,24,26).
What are the key properties of N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide?
N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-nitrophenyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 142724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).