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

C23H30N4O2 — CID 13222150

IUPACN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1
InChIInChI=1S/C23H30N4O2/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)
InChIKeyDRRYZUREYACSFT-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.12
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (PubChem CID 13222150) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
PubChem CID13222150
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1
InChIInChI=1S/C23H30N4O2/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)
InChIKeyDRRYZUREYACSFT-UHFFFAOYSA-N
XLogP3.12
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.12
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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Related Compounds

2-(diethylamino)ethyl 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carboxylate;hydrochloride
CID 13052296
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
3-chloro-11-oxo-N-(2-phenylethyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 3625637
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
(2S)-2-[[4-[2-(diethylamino)ethylcarbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 11523815
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
N-[2-(diethylamino)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577912
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide (CID 13222150) is N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide is CCN(CC)CCNC(=O)c1ccc2nc3ccc(CC(C)C)cc3c(=O)n2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
The InChIKey is DRRYZUREYACSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/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).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide?
N-[2-(diethylamino)ethyl]-2-(2-methylpropyl)-11-oxopyrido[2,1-b]quinazoline-8-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.12, 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 is sourced from PubChem (CID 13222150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).