(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

C23H28N2 — CID 155700370

IUPAC(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
SMILESC=C(N)/C=c1/c(C2=CCC(C)C=C2)nc2c(c1=C)CCC(C(C)C)=C2
InChIInChI=1S/C23H28N2/c1-14(2)19-10-11-20-17(5)21(12-16(4)24)23(25-22(20)13-19)18-8-6-15(3)7-9-18/h6,8-9,12-15H,4-5,7,10-11,24H2,1-3H3/b21-12+
InChIKeyFKRHHXCQIPBWRS-CIAFOILYSA-N
MW332.49 g/mol
LogP3.71
Rot. Bonds3

About (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

(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 (PubChem CID 155700370) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155700370
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(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
SMILESC=C(N)/C=c1/c(C2=CCC(C)C=C2)nc2c(c1=C)CCC(C(C)C)=C2
InChIInChI=1S/C23H28N2/c1-14(2)19-10-11-20-17(5)21(12-16(4)24)23(25-22(20)13-19)18-8-6-15(3)7-9-18/h6,8-9,12-15H,4-5,7,10-11,24H2,1-3H3/b21-12+
InChIKeyFKRHHXCQIPBWRS-CIAFOILYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoropropyl)-3-methyl-2H-acridin-3-amine
CID 162383708
1-(2,6-Dihydroacridin-2-yl)propan-1-amine
CID 69668130
(1Z,3Z)-5-[4-(4-methylcyclohex-2-en-1-yl)-2,3,7,8-tetrahydronaphthalen-1-yl]-1-(2H-pyrrol-5-yl)penta-1,3-dien-1-amine
CID 88933904
(2E)-7-(2,2-dimethylpropylidene)-N-ethenyl-2-(2-methylpropylidene)-5,8-di(propan-2-yl)-1H-quinolin-6-imine
CID 91172653
2-Ethenyl-6-methyl-4,6,7,8-tetrahydroquinoline
CID 91413067
N-[(13E)-13-ethylidene-11-methyl-5-methylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-1-yl]butan-2-imine
CID 123778819
1-(2-ethylhexyl)-1H-benzo[a]carbazole
CID 123864090
1-Decyl-2,3-dihydroacridine
CID 149838022
(3Z)-6-[2-(4-ethenyl-3-propan-2-ylcyclohexa-1,3-dien-1-yl)ethyl]-3-ethylidene-2-methylidenepyridine
CID 141839477
(2E,3Z)-6-[2-(4-ethenyl-3-propan-2-ylcyclohexa-1,3-dien-1-yl)ethyl]-3-ethylidene-2-propylidenepyridine
CID 141839479

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(N)/C=c1/c(C2=CCC(C)C=C2)nc2c(c1=C)CCC(C(C)C)=C2.
What is the InChIKey of (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?
The InChIKey is FKRHHXCQIPBWRS-CIAFOILYSA-N. The full InChI is InChI=1S/C23H28N2/c1-14(2)19-10-11-20-17(5)21(12-16(4)24)23(25-22(20)13-19)18-8-6-15(3)7-9-18/h6,8-9,12-15H,4-5,7,10-11,24H2,1-3H3/b21-12+.
What are the key properties of (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?
(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 has a molecular weight of 332.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155700370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).