6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid

C17H24ClN3O5 — CID 19388573

IUPAC6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid
SMILESCCN(CC)CCN1CN(C)c2ccc(Cl)cc2C1=O.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClN3O.C2H2O4/c1-4-18(5-2)8-9-19-11-17(3)14-7-6-12(16)10-13(14)15(19)20;3-1(4)2(5)6/h6-7,10H,4-5,8-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyAIRIRMODEVOEBQ-UHFFFAOYSA-N
MW385.85 g/mol
LogP1.69
Rot. Bonds5

About 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid

6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid (PubChem CID 19388573) has the molecular formula C17H24ClN3O5 and a molecular weight of 385.85 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid
PubChem CID19388573
Molecular FormulaC17H24ClN3O5
Molecular Weight385.85 g/mol
Exact Mass385.14
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid
SMILESCCN(CC)CCN1CN(C)c2ccc(Cl)cc2C1=O.O=C(O)C(=O)O
InChIInChI=1S/C15H22ClN3O.C2H2O4/c1-4-18(5-2)8-9-19-11-17(3)14-7-6-12(16)10-13(14)15(19)20;3-1(4)2(5)6/h6-7,10H,4-5,8-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyAIRIRMODEVOEBQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(6-chloro-3-[3-(diethylamino)propyl]-1,2-dihydroquinazolin-4-one);oxalic acid
CID 173323091
6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
CID 10826712
2-(5-chloro-1-methyl-2-oxoindol-3-ylidene)-2-cyanoacetic acid
CID 67425822
3-[(4-methoxyphenyl)methyl]-1-methyl-4-oxo-2H-quinazoline-6-carboxylic acid
CID 22482139
7-chloro-2-[2-(diethylamino)ethylimino]-4-methyl-1,3-dihydro-1,4-benzodiazepin-5-one;dihydrochloride
CID 135748571
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;methyl propanoate
CID 142028881
(Z)-3-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 42297527
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10016265
7-chloro-2-ethoxy-1,4-dimethyl-2-oxo-3H-1,4,2λ5-benzodiazaphosphepin-5-one
CID 10685810
2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16645408
8-amino-7-chloro-4-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 14116962
8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
CID 71008767

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid (CID 19388573) is 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid is CCN(CC)CCN1CN(C)c2ccc(Cl)cc2C1=O.O=C(O)C(=O)O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid?
The InChIKey is AIRIRMODEVOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.C2H2O4/c1-4-18(5-2)8-9-19-11-17(3)14-7-6-12(16)10-13(14)15(19)20;3-1(4)2(5)6/h6-7,10H,4-5,8-9,11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid?
6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid has a molecular weight of 385.85 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(diethylamino)ethyl]-1-methyl-2H-quinazolin-4-one;oxalic acid is sourced from PubChem (CID 19388573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).