2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C19H23N3O — CID 3272817

IUPAC2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CC(C(C)(C)C)CC3)o1
InChIInChI=1S/C19H23N3O/c1-11-5-8-16(23-11)17-13-9-12(19(2,3)4)6-7-15(13)22-18(21)14(17)10-20/h5,8,12H,6-7,9H2,1-4H3,(H2,21,22)
InChIKeyPPCCMCQTOTXDHI-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.25
Rot. Bonds1

About 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3272817) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3272817
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CC(C(C)(C)C)CC3)o1
InChIInChI=1S/C19H23N3O/c1-11-5-8-16(23-11)17-13-9-12(19(2,3)4)6-7-15(13)22-18(21)14(17)10-20/h5,8,12H,6-7,9H2,1-4H3,(H2,21,22)
InChIKeyPPCCMCQTOTXDHI-UHFFFAOYSA-N
XLogP4.25
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-amino-6-tert-butyl-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272816
2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3264424
(6S)-6-tert-butyl-2-chloro-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
CID 26434353
(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95477034
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197809
2-amino-6-ethyl-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255838
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
4-(5-methylfuran-2-yl)-2-propylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 6617368

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3272817) is 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(-c2c(C#N)c(N)nc3c2CC(C(C)(C)C)CC3)o1.
What is the InChIKey of 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PPCCMCQTOTXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-11-5-8-16(23-11)17-13-9-12(19(2,3)4)6-7-15(13)22-18(21)14(17)10-20/h5,8,12H,6-7,9H2,1-4H3,(H2,21,22).
What are the key properties of 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 309.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3272817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).