N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride

C23H32Cl2N4O2 — CID 13222151

IUPACN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-5-26(6-2)12-11-24-22(28)18-8-10-21-25-20-9-7-17(13-16(3)4)14-19(20)23(29)27(21)15-18;;/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,24,28);2*1H
InChIKeyYYZPUNKWADBLJO-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.96
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride

N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride (PubChem CID 13222151) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
PubChem CID13222151
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-5-26(6-2)12-11-24-22(28)18-8-10-21-25-20-9-7-17(13-16(3)4)14-19(20)23(29)27(21)15-18;;/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,24,28);2*1H
InChIKeyYYZPUNKWADBLJO-UHFFFAOYSA-N
XLogP3.96
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride (CID 13222151) is N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
The InChIKey is YYZPUNKWADBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.2ClH/c1-5-26(6-2)12-11-24-22(28)18-8-10-21-25-20-9-7-17(13-16(3)4)14-19(20)23(29)27(21)15-18;;/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,24,28);2*1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride has a molecular weight of 467.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 13222151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).