6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile

C18H16N6O2 — CID 89496247

IUPAC6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OC3CCOC3)c(N)cc2c1Nc1ncccn1
InChIInChI=1S/C18H16N6O2/c19-8-11-9-23-15-7-16(26-12-2-5-25-10-12)14(20)6-13(15)17(11)24-18-21-3-1-4-22-18/h1,3-4,6-7,9,12H,2,5,10,20H2,(H,21,22,23,24)
InChIKeyYPSPOEPXCFHYJZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.39
Rot. Bonds4

About 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile

6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile (PubChem CID 89496247) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
PubChem CID89496247
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OC3CCOC3)c(N)cc2c1Nc1ncccn1
InChIInChI=1S/C18H16N6O2/c19-8-11-9-23-15-7-16(26-12-2-5-25-10-12)14(20)6-13(15)17(11)24-18-21-3-1-4-22-18/h1,3-4,6-7,9,12H,2,5,10,20H2,(H,21,22,23,24)
InChIKeyYPSPOEPXCFHYJZ-UHFFFAOYSA-N
XLogP2.39
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(oxolan-3-yloxy)-4-(pyrazin-2-ylamino)quinoline-3-carbonitrile
CID 89496271
6-amino-7-(oxolan-3-yloxy)-4-[[(1R)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496124
N-[3-cyano-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 56592135
6-amino-4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496232
6-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluoroanilino]-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496202
6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
CID 89496243
7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
CID 164962336
4-(3-chloro-4-pyridin-2-yloxyanilino)-7-(oxolan-3-yloxy)-6-piperidin-1-ylquinoline-3-carbonitrile
CID 150768006
4-[3-chloro-4-[(2-chlorophenyl)methoxy]anilino]-6-nitro-7-(oxolan-3-yloxy)quinoline-3-carbonitrile
CID 89496563
6-nitro-7-(oxolan-3-yloxy)-4-[[(1S)-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 89496230
2-[3-cyano-4-(1H-indol-5-ylamino)-7-(oxolan-3-yloxy)quinolin-6-yl]-2-piperidin-4-ylideneacetamide
CID 174673822
5-[[3-cyano-6-nitro-7-(oxolan-3-yloxy)quinolin-4-yl]amino]-N-(4-methoxyphenyl)pyrimidine-2-carboxamide
CID 89496471

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile (CID 89496247) is 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile is N#Cc1cnc2cc(OC3CCOC3)c(N)cc2c1Nc1ncccn1.
What is the InChIKey of 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is YPSPOEPXCFHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-8-11-9-23-15-7-16(26-12-2-5-25-10-12)14(20)6-13(15)17(11)24-18-21-3-1-4-22-18/h1,3-4,6-7,9,12H,2,5,10,20H2,(H,21,22,23,24).
What are the key properties of 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile?
6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(oxolan-3-yloxy)-4-(pyrimidin-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 89496247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).