(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile

C16H20N4 — CID 149239256

IUPAC(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESC/N=C/C(=CN)c1cc2c(cc1C#N)N(C)CC[C@H]2C
InChIInChI=1S/C16H20N4/c1-11-4-5-20(3)16-6-12(8-17)15(7-14(11)16)13(9-18)10-19-2/h6-7,9-11H,4-5,18H2,1-3H3/b13-9?,19-10+/t11-/m1/s1
InChIKeyJEWPBTUBOQHQPC-COPHLCHKSA-N
MW268.36 g/mol
LogP2.50
Rot. Bonds2

About (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile

(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 149239256) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID149239256
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESC/N=C/C(=CN)c1cc2c(cc1C#N)N(C)CC[C@H]2C
InChIInChI=1S/C16H20N4/c1-11-4-5-20(3)16-6-12(8-17)15(7-14(11)16)13(9-18)10-19-2/h6-7,9-11H,4-5,18H2,1-3H3/b13-9?,19-10+/t11-/m1/s1
InChIKeyJEWPBTUBOQHQPC-COPHLCHKSA-N
XLogP2.50
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-[7-(difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 132181678
4-[1-[1-[2,6-dimethyl-3-[[(3E)-6-methyl-3-[(methylideneamino)methylidene]hept-1-en-2-yl]amino]phenyl]ethenyl]-4-fluoropiperidin-4-yl]benzonitrile
CID 134513268
4-[7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-2,3-dihydropyridine-2-carbonitrile
CID 145091264
(Z)-2-[1-ethyl-7-(1-fluoroethyl)-3,4-dihydro-2H-quinolin-6-yl]-N'-methylprop-1-ene-1,3-diamine
CID 145408790
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-7-(difluoromethyl)-N-methyl-3,4-dihydro-2H-quinolin-1-amine
CID 145408801
2-[7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 162575751
2-[7-(Difluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 162613456
2-[7-(Difluoromethyl)-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 163691041
2-[(3S)-1-cyclopropyl-7-(difluoromethyl)-3-methyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 163806751
2-[(4R)-7-(difluoromethyl)-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 163834958
2-[3-(2,2-difluoroethyl)-1-methyl-3,4-dihydro-2H-quinolin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 173818749
3-cyclopropylimino-2-[5-[(3,3-difluorocyclobutyl)methyl]-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl]prop-1-en-1-amine
CID 173932720

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 149239256) is (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile is C/N=C/C(=CN)c1cc2c(cc1C#N)N(C)CC[C@H]2C.
What is the InChIKey of (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is JEWPBTUBOQHQPC-COPHLCHKSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-4-5-20(3)16-6-12(8-17)15(7-14(11)16)13(9-18)10-19-2/h6-7,9-11H,4-5,18H2,1-3H3/b13-9?,19-10+/t11-/m1/s1.
What are the key properties of (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile?
(4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(1-amino-3-methyliminoprop-1-en-2-yl)-1,4-dimethyl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 149239256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).