1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline

C29H38N2Si — CID 156759825

IUPAC1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline
SMILESC=CCN1CCCc2ccc([Si]3(c4ccc5c(c4)N(CC=C)CCC5)CCCCC3)cc21
InChIInChI=1S/C29H38N2Si/c1-3-16-30-18-8-10-24-12-14-26(22-28(24)30)32(20-6-5-7-21-32)27-15-13-25-11-9-19-31(17-4-2)29(25)23-27/h3-4,12-15,22-23H,1-2,5-11,16-21H2
InChIKeyZNQCFCPOHMKQTN-UHFFFAOYSA-N
MW442.72 g/mol
LogP5.31
Rot. Bonds6

About 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline

1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline (PubChem CID 156759825) has the molecular formula C29H38N2Si and a molecular weight of 442.72 g/mol. Its IUPAC name is 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline
PubChem CID156759825
Molecular FormulaC29H38N2Si
Molecular Weight442.72 g/mol
Exact Mass442.28
IUPAC Name1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline
SMILESC=CCN1CCCc2ccc([Si]3(c4ccc5c(c4)N(CC=C)CCC5)CCCCC3)cc21
InChIInChI=1S/C29H38N2Si/c1-3-16-30-18-8-10-24-12-14-26(22-28(24)30)32(20-6-5-7-21-32)27-15-13-25-11-9-19-31(17-4-2)29(25)23-27/h3-4,12-15,22-23H,1-2,5-11,16-21H2
InChIKeyZNQCFCPOHMKQTN-UHFFFAOYSA-N
XLogP5.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.72
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

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CID 22904998
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CID 175212901
5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
CID 67861334
1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline
CID 118519008
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
azane;1-prop-2-enylpyrrolidin-2-one
CID 174828980
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one
CID 68858984
(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
CID 44597895
4-chloro-2-iodo-3-(1-prop-2-enyl-2,3-dihydroindol-6-yl)-1H-pyrrolo[2,3-b]pyridine
CID 156697189
1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
CID 77051840

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline (CID 156759825) is 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline is C=CCN1CCCc2ccc([Si]3(c4ccc5c(c4)N(CC=C)CCC5)CCCCC3)cc21.
What is the InChIKey of 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is ZNQCFCPOHMKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2Si/c1-3-16-30-18-8-10-24-12-14-26(22-28(24)30)32(20-6-5-7-21-32)27-15-13-25-11-9-19-31(17-4-2)29(25)23-27/h3-4,12-15,22-23H,1-2,5-11,16-21H2.
What are the key properties of 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline?
1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 442.72 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-7-[1-(1-prop-2-enyl-3,4-dihydro-2H-quinolin-7-yl)silinan-1-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 156759825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).