CID 174960263

C23H32ClN3OSi — CID 174960263

IUPAC—
SMILESCC(C)[Si]Cl.CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C20H25N3O.C3H7ClSi/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;1-3(2)5-4/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;3H,1-2H3/t14-,18-;/m1./s1
InChIKeyNJDIPUNLYJJCRH-KEZWHQCISA-N
MW430.07 g/mol
LogP4.58
Rot. Bonds4

About CID 174960263

CID 174960263 (PubChem CID 174960263) has the molecular formula C23H32ClN3OSi and a molecular weight of 430.07 g/mol.

Molecular Properties

Compound NameCID 174960263
PubChem CID174960263
Molecular FormulaC23H32ClN3OSi
Molecular Weight430.07 g/mol
Exact Mass429.20
IUPAC Name—
SMILESCC(C)[Si]Cl.CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C20H25N3O.C3H7ClSi/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;1-3(2)5-4/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;3H,1-2H3/t14-,18-;/m1./s1
InChIKeyNJDIPUNLYJJCRH-KEZWHQCISA-N
XLogP4.58
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.07
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
CID 174919313
bis((6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);2,3-dihydroxybutanedioic acid
CID 154730847
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
CID 174862395
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;1-chloropyrrolidine-2,5-dione
CID 174850219
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;ethene;propane-1,3-diol
CID 174860696
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexadecanedioic acid
CID 174864817
(6aS,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166138526
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;butan-1-ol;chloroform;methanol
CID 174854381
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-(2-hydroxyethoxy)ethanol
CID 174812204
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-methylidenebutanoic acid
CID 174919189
(6aR,9R)-N-ethyl-7-methyl-N-(2,2,2-trifluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 163187757

Frequently Asked Questions

What is the IUPAC name of CID 174960263?
The IUPAC name of CID 174960263 (CID 174960263) is not available.
What is the SMILES notation for CID 174960263?
The canonical SMILES for CID 174960263 is CC(C)[Si]Cl.CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.
What is the InChIKey of CID 174960263?
The InChIKey is NJDIPUNLYJJCRH-KEZWHQCISA-N. The full InChI is InChI=1S/C20H25N3O.C3H7ClSi/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;1-3(2)5-4/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;3H,1-2H3/t14-,18-;/m1./s1.
What are the key properties of CID 174960263?
CID 174960263 has a molecular weight of 430.07 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174960263 is sourced from PubChem (CID 174960263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).