cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal

C15H23CsN2O2 — CID 177205652

IUPACcesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal
SMILESCCC=O.Nc1nc2c(c3c1COC3)CCCC2.[CH3-].[Cs+]
InChIInChI=1S/C11H14N2O.C3H6O.CH3.Cs/c12-11-9-6-14-5-8(9)7-3-1-2-4-10(7)13-11;1-2-3-4;;/h1-6H2,(H2,12,13);3H,2H2,1H3;1H3;/q;;-1;+1
InChIKeyFDMKQYFVQYLKSD-UHFFFAOYSA-N
MW396.27 g/mol
LogP-0.38
Rot. Bonds1

About cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal

cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal (PubChem CID 177205652) has the molecular formula C15H23CsN2O2 and a molecular weight of 396.27 g/mol. Its IUPAC name is cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal.

Molecular Properties

Compound Namecesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal
PubChem CID177205652
Molecular FormulaC15H23CsN2O2
Molecular Weight396.27 g/mol
Exact Mass396.08
IUPAC Namecesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal
SMILESCCC=O.Nc1nc2c(c3c1COC3)CCCC2.[CH3-].[Cs+]
InChIInChI=1S/C11H14N2O.C3H6O.CH3.Cs/c12-11-9-6-14-5-8(9)7-3-1-2-4-10(7)13-11;1-2-3-4;;/h1-6H2,(H2,12,13);3H,2H2,1H3;1H3;/q;;-1;+1
InChIKeyFDMKQYFVQYLKSD-UHFFFAOYSA-N
XLogP-0.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal 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

(6R)-6-[4-(difluoromethoxy)-2-methylphenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine
CID 177205608
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65405405
4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
CID 105432573
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(1,4-dioxan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65351732
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
2-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 65348931
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal?
The IUPAC name of cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal (CID 177205652) is cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal.
What is the SMILES notation for cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal?
The canonical SMILES for cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal is CCC=O.Nc1nc2c(c3c1COC3)CCCC2.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal?
The InChIKey is FDMKQYFVQYLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C3H6O.CH3.Cs/c12-11-9-6-14-5-8(9)7-3-1-2-4-10(7)13-11;1-2-3-4;;/h1-6H2,(H2,12,13);3H,2H2,1H3;1H3;/q;;-1;+1.
What are the key properties of cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal?
cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal has a molecular weight of 396.27 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;1,3,6,7,8,9-hexahydrofuro[3,4-c]quinolin-4-amine;propanal is sourced from PubChem (CID 177205652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).