N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine

C22H19ClN4 — CID 89148355

IUPACN-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
SMILESC=C(c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12)N(C)C
InChIInChI=1S/C22H19ClN4/c1-14(27(2)3)17-8-5-9-18-20-13-24-11-10-19(20)22(26-21(17)18)25-16-7-4-6-15(23)12-16/h4-13H,1H2,2-3H3,(H,25,26)
InChIKeyAAHPVAVKMDYISM-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.71
Rot. Bonds4

About N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine

N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine (PubChem CID 89148355) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
PubChem CID89148355
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC NameN-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
SMILESC=C(c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12)N(C)C
InChIInChI=1S/C22H19ClN4/c1-14(27(2)3)17-8-5-9-18-20-13-24-11-10-19(20)22(26-21(17)18)25-16-7-4-6-15(23)12-16/h4-13H,1H2,2-3H3,(H,25,26)
InChIKeyAAHPVAVKMDYISM-UHFFFAOYSA-N
XLogP5.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloroanilino)-N'-methanimidoylbenzo[c][2,6]naphthyridine-7-carboximidamide
CID 143858117
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
CID 164616625
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
2-amino-1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethanone;methyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 161096043
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740048
N,N-dimethyl-3-(5,9,11,14,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-8-ylamino)benzamide
CID 170687365
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine (CID 89148355) is N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine is C=C(c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12)N(C)C.
What is the InChIKey of N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is AAHPVAVKMDYISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-14(27(2)3)17-8-5-9-18-20-13-24-11-10-19(20)22(26-21(17)18)25-16-7-4-6-15(23)12-16/h4-13H,1H2,2-3H3,(H,25,26).
What are the key properties of N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine?
N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 374.88 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 89148355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).