2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile

C19H22N4O2 — CID 56868774

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CC1(CCNCC1)CC2
InChIInChI=1S/C19H22N4O2/c20-10-14-17(16-2-1-12(11-24)25-16)13-9-19(5-7-22-8-6-19)4-3-15(13)23-18(14)21/h1-2,22,24H,3-9,11H2,(H2,21,23)
InChIKeyCRSJAKDNSCKONI-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile

2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile (PubChem CID 56868774) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
PubChem CID56868774
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CC1(CCNCC1)CC2
InChIInChI=1S/C19H22N4O2/c20-10-14-17(16-2-1-12(11-24)25-16)13-9-19(5-7-22-8-6-19)4-3-15(13)23-18(14)21/h1-2,22,24H,3-9,11H2,(H2,21,23)
InChIKeyCRSJAKDNSCKONI-UHFFFAOYSA-N
XLogP2.15
TPSA108.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile with MolForge

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Related Compounds

4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide
CID 56861141
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56871594
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-7-methoxy-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 56748740
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 56871087
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-amino-4-[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4586732
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
CID 56876273
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile (CID 56868774) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CC1(CCNCC1)CC2.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile?
The InChIKey is CRSJAKDNSCKONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-10-14-17(16-2-1-12(11-24)25-16)13-9-19(5-7-22-8-6-19)4-3-15(13)23-18(14)21/h1-2,22,24H,3-9,11H2,(H2,21,23).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile is sourced from PubChem (CID 56868774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).