6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile

C20H12N6O3 — CID 89496305

IUPAC6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ccccn1
InChIInChI=1S/C20H12N6O3/c21-11-13-12-24-16-10-18(29-14-4-7-22-8-5-14)17(26(27)28)9-15(16)20(13)25-19-3-1-2-6-23-19/h1-10,12H,(H,23,24,25)
InChIKeyCCFXUESRDQIOOX-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.34
Rot. Bonds5

About 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile

6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile (PubChem CID 89496305) has the molecular formula C20H12N6O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
PubChem CID89496305
Molecular FormulaC20H12N6O3
Molecular Weight384.36 g/mol
Exact Mass384.10
IUPAC Name6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ccccn1
InChIInChI=1S/C20H12N6O3/c21-11-13-12-24-16-10-18(29-14-4-7-22-8-5-14)17(26(27)28)9-15(16)20(13)25-19-3-1-2-6-23-19/h1-10,12H,(H,23,24,25)
InChIKeyCCFXUESRDQIOOX-UHFFFAOYSA-N
XLogP4.34
TPSA126.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
CID 89496312
7-(1-methylpiperidin-4-yl)oxy-6-nitro-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
CID 89496157
6-amino-4-(4-phenylmethoxyanilino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
CID 89496193
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
N-[3-cyano-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 89496372
6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile
CID 44586518
4-(3-ethynylanilino)-7-(1-methylpiperidin-4-yl)oxy-6-nitroquinoline-3-carbonitrile
CID 89496418
4-[3-chloro-4-[(4-phenylmethoxyphenyl)methoxy]anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile;hydrochloride
CID 11786868
6-nitro-7-(oxolan-3-yloxy)-4-[[(1S)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496230
6-methoxy-4-[4-(2-methoxyphenoxy)anilino]-7-methylquinoline-3-carbonitrile
CID 142143779
4-[3-chloro-4-[(2-chlorophenyl)methoxy]anilino]-6-nitro-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496563
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile?
The IUPAC name of 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile (CID 89496305) is 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile.
What is the SMILES notation for 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile?
The canonical SMILES for 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile is N#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ccccn1.
What is the InChIKey of 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile?
The InChIKey is CCFXUESRDQIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6O3/c21-11-13-12-24-16-10-18(29-14-4-7-22-8-5-14)17(26(27)28)9-15(16)20(13)25-19-3-1-2-6-23-19/h1-10,12H,(H,23,24,25).
What are the key properties of 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile?
6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile has a molecular weight of 384.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile is sourced from PubChem (CID 89496305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).