N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine

C20H16N4O2 — CID 45139334

IUPACN,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
SMILESCN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2n1
InChIInChI=1S/C20H16N4O2/c1-23(2)18-12-11-16-19(13-7-9-14(10-8-13)24(25)26)21-17-6-4-3-5-15(17)20(16)22-18/h3-12H,1-2H3
InChIKeyRLMRLLKPBDPADD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.42
Rot. Bonds3

About N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine

N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine (PubChem CID 45139334) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
PubChem CID45139334
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine
SMILESCN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2n1
InChIInChI=1S/C20H16N4O2/c1-23(2)18-12-11-16-19(13-7-9-14(10-8-13)24(25)26)21-17-6-4-3-5-15(17)20(16)22-18/h3-12H,1-2H3
InChIKeyRLMRLLKPBDPADD-UHFFFAOYSA-N
XLogP4.42
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
9-(4-nitrophenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 101436702
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
9-(4-nitrophenyl)-12-phenyl-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
CID 101436709
4-naphthalen-2-yl-3-(4-nitrophenyl)triazolo[4,5-c]quinoline
CID 15867137
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
3-(4-nitrophenyl)-1,4-benzoxazin-2-one
CID 139215522
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
N-ethyl-N-[(4-nitrophenyl)methyl]-4-phenylquinazoline-2-carboxamide
CID 90655960
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine (CID 45139334) is N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine is CN(C)c1ccc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2n1.
What is the InChIKey of N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine?
The InChIKey is RLMRLLKPBDPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-23(2)18-12-11-16-19(13-7-9-14(10-8-13)24(25)26)21-17-6-4-3-5-15(17)20(16)22-18/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine?
N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine has a molecular weight of 344.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-nitrophenyl)benzo[h][1,6]naphthyridin-2-amine is sourced from PubChem (CID 45139334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).