N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride

C22H30Cl2N4O2 — CID 45260124

IUPACN-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(C(C)C)cn3c(=O)c2c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-5-25(6-2)12-11-23-21(27)16-7-9-19-18(13-16)22(28)26-14-17(15(3)4)8-10-20(26)24-19;;/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,23,27);2*1H
InChIKeyRVLSZHQVVGIBQX-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride

N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride (PubChem CID 45260124) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride
PubChem CID45260124
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC NameN-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(C(C)C)cn3c(=O)c2c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-5-25(6-2)12-11-23-21(27)16-7-9-19-18(13-16)22(28)26-14-17(15(3)4)8-10-20(26)24-19;;/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,23,27);2*1H
InChIKeyRVLSZHQVVGIBQX-UHFFFAOYSA-N
XLogP3.89
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.89
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]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride (CID 45260124) is N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc2nc3ccc(C(C)C)cn3c(=O)c2c1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride?
The InChIKey is RVLSZHQVVGIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-5-25(6-2)12-11-23-21(27)16-7-9-19-18(13-16)22(28)26-14-17(15(3)4)8-10-20(26)24-19;;/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,23,27);2*1H.
What are the key properties of N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 45260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).