N-[(2-nitrophenyl)methyl]quinolin-3-amine

C16H13N3O2 — CID 43691125

IUPACN-[(2-nitrophenyl)methyl]quinolin-3-amine
SMILESO=[N+]([O-])c1ccccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H13N3O2/c20-19(21)16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14/h1-9,11,17H,10H2
InChIKeyJCOBPNYNBGOTEK-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]quinolin-3-amine

N-[(2-nitrophenyl)methyl]quinolin-3-amine (PubChem CID 43691125) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]quinolin-3-amine
PubChem CID43691125
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[(2-nitrophenyl)methyl]quinolin-3-amine
SMILESO=[N+]([O-])c1ccccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H13N3O2/c20-19(21)16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14/h1-9,11,17H,10H2
InChIKeyJCOBPNYNBGOTEK-UHFFFAOYSA-N
XLogP3.76
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.76
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

2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
CID 115951211
N-[(2-nitrophenyl)methyl]-1H-indol-5-amine
CID 28662656
3,4,5-trifluoro-N-[(2-nitrophenyl)methyl]aniline
CID 62811341
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
4-[(2-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133275043
4-bromo-N-[(2-nitrophenyl)methyl]aniline
CID 872001
4-ethyl-3-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 78883010
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]quinolin-3-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]quinolin-3-amine (CID 43691125) is N-[(2-nitrophenyl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]quinolin-3-amine is O=[N+]([O-])c1ccccc1CNc1cnc2ccccc2c1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]quinolin-3-amine?
The InChIKey is JCOBPNYNBGOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-19(21)16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14/h1-9,11,17H,10H2.
What are the key properties of N-[(2-nitrophenyl)methyl]quinolin-3-amine?
N-[(2-nitrophenyl)methyl]quinolin-3-amine has a molecular weight of 279.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]quinolin-3-amine is sourced from PubChem (CID 43691125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).