6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile

C19H11N7O3 — CID 89496312

IUPAC6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ncccn1
InChIInChI=1S/C19H11N7O3/c20-10-12-11-24-15-9-17(29-13-2-6-21-7-3-13)16(26(27)28)8-14(15)18(12)25-19-22-4-1-5-23-19/h1-9,11H,(H,22,23,24,25)
InChIKeyQDGLLXCMYCVFFL-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.74
Rot. Bonds5

About 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile

6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile (PubChem CID 89496312) has the molecular formula C19H11N7O3 and a molecular weight of 385.34 g/mol. Its IUPAC name is 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
PubChem CID89496312
Molecular FormulaC19H11N7O3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ncccn1
InChIInChI=1S/C19H11N7O3/c20-10-12-11-24-15-9-17(29-13-2-6-21-7-3-13)16(26(27)28)8-14(15)18(12)25-19-22-4-1-5-23-19/h1-9,11H,(H,22,23,24,25)
InChIKeyQDGLLXCMYCVFFL-UHFFFAOYSA-N
XLogP3.74
TPSA139.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-4-(pyridin-2-ylamino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
CID 89496305
N-[3-cyano-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 89496372
7-(1-methylpiperidin-4-yl)oxy-6-nitro-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
CID 89496157
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
6-amino-4-(4-phenylmethoxyanilino)-7-pyridin-4-yloxyquinoline-3-carbonitrile
CID 89496193
(Z)-2-methyl-3-[2-(methylideneamino)-5-nitro-4-pyridin-4-yloxyphenyl]-3-(pyrimidin-2-ylamino)prop-2-enenitrile
CID 130312660
6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
CID 89496247
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
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
CID 71425068
6-[3-(hydroxymethyl)phenyl]-4-(4-pyridin-4-yloxyanilino)quinoline-3-carbonitrile
CID 121416243
6-nitro-7-(oxolan-3-yloxy)-4-[[(1S)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496230

Frequently Asked Questions

What is the IUPAC name of 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile (CID 89496312) is 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile is N#Cc1cnc2cc(Oc3ccncc3)c([N+](=O)[O-])cc2c1Nc1ncccn1.
What is the InChIKey of 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is QDGLLXCMYCVFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N7O3/c20-10-12-11-24-15-9-17(29-13-2-6-21-7-3-13)16(26(27)28)8-14(15)18(12)25-19-22-4-1-5-23-19/h1-9,11H,(H,22,23,24,25).
What are the key properties of 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 385.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-7-pyridin-4-yloxy-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 89496312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).