2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C21H19N3O2 — CID 56871594

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCCC2c1ccccc1
InChIInChI=1S/C21H19N3O2/c22-11-17-19(18-10-9-14(12-25)26-18)16-8-4-7-15(20(16)24-21(17)23)13-5-2-1-3-6-13/h1-3,5-6,9-10,15,25H,4,7-8,12H2,(H2,23,24)
InChIKeyIMGDZIQSFKPADO-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.76
Rot. Bonds3

About 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 56871594) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID56871594
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCCC2c1ccccc1
InChIInChI=1S/C21H19N3O2/c22-11-17-19(18-10-9-14(12-25)26-18)16-8-4-7-15(20(16)24-21(17)23)13-5-2-1-3-6-13/h1-3,5-6,9-10,15,25H,4,7-8,12H2,(H2,23,24)
InChIKeyIMGDZIQSFKPADO-UHFFFAOYSA-N
XLogP3.76
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
CID 56868774
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
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
CID 56876273
4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide
CID 95524999
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-4-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 620210
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 56871594) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCCC2c1ccccc1.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is IMGDZIQSFKPADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-11-17-19(18-10-9-14(12-25)26-18)16-8-4-7-15(20(16)24-21(17)23)13-5-2-1-3-6-13/h1-3,5-6,9-10,15,25H,4,7-8,12H2,(H2,23,24).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 345.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 56871594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).