(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene

C20H17N5O2 — CID 134960549

IUPAC(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)CCC(c2ccccn2)N3)cc1
InChIInChI=1S/C20H17N5O2/c26-25(27)17-8-5-15(6-9-17)23-24-16-7-11-18-14(13-16)4-10-20(22-18)19-3-1-2-12-21-19/h1-3,5-9,11-13,20,22H,4,10H2/b24-23+
InChIKeyONRJKYQJNMCLBS-WCWDXBQESA-N
MW359.39 g/mol
LogP5.50
Rot. Bonds4

About (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene

(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene (PubChem CID 134960549) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene.

Molecular Properties

Compound Name(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene
PubChem CID134960549
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)CCC(c2ccccn2)N3)cc1
InChIInChI=1S/C20H17N5O2/c26-25(27)17-8-5-15(6-9-17)23-24-16-7-11-18-14(13-16)4-10-20(22-18)19-3-1-2-12-21-19/h1-3,5-9,11-13,20,22H,4,10H2/b24-23+
InChIKeyONRJKYQJNMCLBS-WCWDXBQESA-N
XLogP5.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

2-pyridin-2-yl-1,2,3,4-tetrahydroquinoline
CID 90409822
6-nitro-2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 2796989
(4-nitrophenyl)-phenyldiazene
CID 17222
(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
CID 101076082
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 135458070
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-(4-nitrophenyl)diazene
CID 599155
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
CID 155272345
23-[[5-methyl-4-[(4-nitrophenyl)diazenyl]-1H-pyrazol-3-yl]diazenyl]-26,27,28-tris(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-ol
CID 136776306
(4-nitrophenyl)-(2-phenylethynyl)diazene
CID 134901679
(2R)-5-nitro-2-pyridin-2-ylindene-1,3-dione
CID 98115653

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene?
The IUPAC name of (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene (CID 134960549) is (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene.
What is the SMILES notation for (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene?
The canonical SMILES for (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)CCC(c2ccccn2)N3)cc1.
What is the InChIKey of (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene?
The InChIKey is ONRJKYQJNMCLBS-WCWDXBQESA-N. The full InChI is InChI=1S/C20H17N5O2/c26-25(27)17-8-5-15(6-9-17)23-24-16-7-11-18-14(13-16)4-10-20(22-18)19-3-1-2-12-21-19/h1-3,5-9,11-13,20,22H,4,10H2/b24-23+.
What are the key properties of (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene?
(4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene has a molecular weight of 359.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2-pyridin-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)diazene is sourced from PubChem (CID 134960549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).