N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline

C17H15N3O2 — CID 58362715

IUPACN,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline
SMILESCN(C)c1ccc(-c2cc([N+](=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O2/c1-19(2)13-9-7-12(8-10-13)16-11-17(20(21)22)14-5-3-4-6-15(14)18-16/h3-11H,1-2H3
InChIKeyRKSPJCCNLAJZAH-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.88
Rot. Bonds3

About N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline

N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline (PubChem CID 58362715) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline
PubChem CID58362715
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline
SMILESCN(C)c1ccc(-c2cc([N+](=O)[O-])c3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O2/c1-19(2)13-9-7-12(8-10-13)16-11-17(20(21)22)14-5-3-4-6-15(14)18-16/h3-11H,1-2H3
InChIKeyRKSPJCCNLAJZAH-UHFFFAOYSA-N
XLogP3.88
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
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

4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
N,N-dimethyl-2,4-dinitronaphthalen-1-amine
CID 71346683
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
CID 88919790
CID 88919790
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chloro-3-nitrophenyl)-4-[4-(dimethylamino)phenyl]-1,3-oxazin-6-one
CID 1419181
2-[(E)-2-chloroethenyl]-4-nitroquinoline
CID 19035003
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177
N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25394120
N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
CID 10286156
N,N-dimethyl-4-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]aniline
CID 3809870

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline (CID 58362715) is N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline is CN(C)c1ccc(-c2cc([N+](=O)[O-])c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline?
The InChIKey is RKSPJCCNLAJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19(2)13-9-7-12(8-10-13)16-11-17(20(21)22)14-5-3-4-6-15(14)18-16/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline?
N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline has a molecular weight of 293.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-nitroquinolin-2-yl)aniline is sourced from PubChem (CID 58362715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).