(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline

C19H25N — CID 146516424

IUPAC(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline
SMILESC=C/C=C1/CC2C=CC=CC2N(C(C)(C)C)/C1=C/C=C
InChIInChI=1S/C19H25N/c1-6-10-15-14-16-12-8-9-13-18(16)20(19(3,4)5)17(15)11-7-2/h6-13,16,18H,1-2,14H2,3-5H3/b15-10-,17-11+
InChIKeyALUMVKKEYYIOED-JBOZTJCHSA-N
MW267.42 g/mol
LogP4.78
Rot. Bonds2

About (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline

(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline (PubChem CID 146516424) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline.

Molecular Properties

Compound Name(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline
PubChem CID146516424
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline
SMILESC=C/C=C1/CC2C=CC=CC2N(C(C)(C)C)/C1=C/C=C
InChIInChI=1S/C19H25N/c1-6-10-15-14-16-12-8-9-13-18(16)20(19(3,4)5)17(15)11-7-2/h6-13,16,18H,1-2,14H2,3-5H3/b15-10-,17-11+
InChIKeyALUMVKKEYYIOED-JBOZTJCHSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline?
The IUPAC name of (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline (CID 146516424) is (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline.
What is the SMILES notation for (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline?
The canonical SMILES for (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline is C=C/C=C1/CC2C=CC=CC2N(C(C)(C)C)/C1=C/C=C.
What is the InChIKey of (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline?
The InChIKey is ALUMVKKEYYIOED-JBOZTJCHSA-N. The full InChI is InChI=1S/C19H25N/c1-6-10-15-14-16-12-8-9-13-18(16)20(19(3,4)5)17(15)11-7-2/h6-13,16,18H,1-2,14H2,3-5H3/b15-10-,17-11+.
What are the key properties of (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline?
(2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline has a molecular weight of 267.42 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-tert-butyl-2,3-bis(prop-2-enylidene)-4a,8a-dihydro-4H-quinoline is sourced from PubChem (CID 146516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).