(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine

C26H38N2 — CID 91172653

IUPAC(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
SMILESC=C/N=c1\c(C(C)C)c2cc/c(=C\C(C)C)[nH]c-2c(C(C)C)c1=CC(C)(C)C
InChIInChI=1S/C26H38N2/c1-11-27-24-21(15-26(8,9)10)23(18(6)7)25-20(22(24)17(4)5)13-12-19(28-25)14-16(2)3/h11-18,28H,1H2,2-10H3/b19-14+,21-15?,27-24-
InChIKeyBOTWNZXNAUOWQV-KRKCHLBRSA-N
MW378.60 g/mol
LogP5.67
Rot. Bonds4

About (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine

(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine (PubChem CID 91172653) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine.

Molecular Properties

Compound Name(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
PubChem CID91172653
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
SMILESC=C/N=c1\c(C(C)C)c2cc/c(=C\C(C)C)[nH]c-2c(C(C)C)c1=CC(C)(C)C
InChIInChI=1S/C26H38N2/c1-11-27-24-21(15-26(8,9)10)23(18(6)7)25-20(22(24)17(4)5)13-12-19(28-25)14-16(2)3/h11-18,28H,1H2,2-10H3/b19-14+,21-15?,27-24-
InChIKeyBOTWNZXNAUOWQV-KRKCHLBRSA-N
XLogP5.67
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,4Z)-3-[1-(6-imino-2,4,4-trimethylcyclohexen-1-yl)ethylidene]-N-propylhepta-1,4,6-trien-2-amine
CID 134479440
(E)-[(2Z)-4-(2,3-dimethylcyclohexa-1,5-dien-1-yl)-3-ethyl-2,8,8-trimethyl-6-methylimino-4,7,9,10-tetrahydro-1H-1-benzazocin-5-ylidene]methanamine
CID 137483431
N-but-3-en-2-yl-4-(2,6-ditert-butyl-3,4-dihydropyridin-4-yl)cyclohexa-2,4-dien-1-amine
CID 147441429
(3E)-3-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-methylidene-7-propan-2-yl-5,6-dihydroquinolin-3-ylidene]prop-1-en-2-amine
CID 155700370
2,4,8a-trimethyl-3-[(6-methyl-4H-azepin-7-yl)methyl]-1H-quinoline
CID 166806405
3-[4-[[[3-amino-1-[(1R)-4-[(1R)-cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-4-methylcyclohex-2-en-1-yl]-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-amine
CID 173508378
(3Z)-N-[1-(6-butyl-3-methyl-2,3-dihydropyridin-4-yl)ethenyl]-3-[2-(cyclobuten-1-yl)but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-amine
CID 142583750
5-[3-[(6Z,8E)-9-ethyl-5,8-dimethyl-4,5-dihydro-3H-azonin-2-yl]prop-1-en-2-yl]-2,3-dihydroisoquinoline
CID 143721776

Frequently Asked Questions

What is the IUPAC name of (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine?
The IUPAC name of (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine (CID 91172653) is (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine.
What is the SMILES notation for (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine?
The canonical SMILES for (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine is C=C/N=c1\c(C(C)C)c2cc/c(=C\C(C)C)[nH]c-2c(C(C)C)c1=CC(C)(C)C.
What is the InChIKey of (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine?
The InChIKey is BOTWNZXNAUOWQV-KRKCHLBRSA-N. The full InChI is InChI=1S/C26H38N2/c1-11-27-24-21(15-26(8,9)10)23(18(6)7)25-20(22(24)17(4)5)13-12-19(28-25)14-16(2)3/h11-18,28H,1H2,2-10H3/b19-14+,21-15?,27-24-.
What are the key properties of (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine?
(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine has a molecular weight of 378.60 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine is sourced from PubChem (CID 91172653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).