(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide

C18H13N3O3 — CID 5372765

IUPAC(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H13N3O3/c22-18(10-7-13-5-8-16(9-6-13)21(23)24)20-15-11-14-3-1-2-4-17(14)19-12-15/h1-12H,(H,20,22)/b10-7+
InChIKeyPOMJIPBDKSWBCO-JXMROGBWSA-N
MW319.32 g/mol
LogP3.79
Rot. Bonds4

About (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide

(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide (PubChem CID 5372765) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
PubChem CID5372765
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H13N3O3/c22-18(10-7-13-5-8-16(9-6-13)21(23)24)20-15-11-14-3-1-2-4-17(14)19-12-15/h1-12H,(H,20,22)/b10-7+
InChIKeyPOMJIPBDKSWBCO-JXMROGBWSA-N
XLogP3.79
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
CID 129109134
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide (CID 5372765) is (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnc2ccccc2c1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide?
The InChIKey is POMJIPBDKSWBCO-JXMROGBWSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(10-7-13-5-8-16(9-6-13)21(23)24)20-15-11-14-3-1-2-4-17(14)19-12-15/h1-12H,(H,20,22)/b10-7+.
What are the key properties of (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide?
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide has a molecular weight of 319.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide is sourced from PubChem (CID 5372765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).