7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

C17H17N3O2 — CID 645034

IUPAC7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCCO3
InChIInChI=1S/C17H17N3O2/c18-11-13-8-12-9-15-16(22-7-6-21-15)10-14(12)19-17(13)20-4-2-1-3-5-20/h8-10H,1-7H2
InChIKeyJQYBHRWSTHGKGJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.87
Rot. Bonds1

About 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (PubChem CID 645034) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
PubChem CID645034
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCCO3
InChIInChI=1S/C17H17N3O2/c18-11-13-8-12-9-15-16(22-7-6-21-15)10-14(12)19-17(13)20-4-2-1-3-5-20/h8-10H,1-7H2
InChIKeyJQYBHRWSTHGKGJ-UHFFFAOYSA-N
XLogP2.87
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Abanoquil
CID 164089
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
2-Chloro-6,7-dimethoxy-4-(4-morpholinyl)quinazoline
CID 1713526
2-Chloro-6,7-dimethoxy-4-(1-piperidinyl)quinazoline
CID 1713515
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
6,7-Dimethoxy-N-methyl-N-phenylquinazolin-4-amine
CID 9882621
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
9-Methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[c]-2,7-naphthyridin-4-amine
CID 25060408
N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 25141190
9-Methoxy-8-(2-methoxyethoxy)-N2,N2-dimethylbenzo[c]-2,7-naphthyridine-2,4-diamine
CID 44236913

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The IUPAC name of 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile (CID 645034) is 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile.
What is the SMILES notation for 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The canonical SMILES for 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile is N#Cc1cc2cc3c(cc2nc1N1CCCCC1)OCCO3.
What is the InChIKey of 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
The InChIKey is JQYBHRWSTHGKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-11-13-8-12-9-15-16(22-7-6-21-15)10-14(12)19-17(13)20-4-2-1-3-5-20/h8-10H,1-7H2.
What are the key properties of 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile?
7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile is sourced from PubChem (CID 645034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).