2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide

C19H19ClN4O3 — CID 55576050

IUPAC2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
SMILESCCn1c(NNC(=O)C(C)Oc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O3/c1-3-24-18(26)13-8-4-6-10-15(13)21-19(24)23-22-17(25)12(2)27-16-11-7-5-9-14(16)20/h4-12H,3H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBTWBJXUSVWDIIF-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide

2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide (PubChem CID 55576050) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
PubChem CID55576050
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
SMILESCCn1c(NNC(=O)C(C)Oc2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O3/c1-3-24-18(26)13-8-4-6-10-15(13)21-19(24)23-22-17(25)12(2)27-16-11-7-5-9-14(16)20/h4-12H,3H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBTWBJXUSVWDIIF-UHFFFAOYSA-N
XLogP2.98
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24574726
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
tert-butyl N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55561640
N-[(2S)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55941901
2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
CID 24598212
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 24598241
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide?
The IUPAC name of 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide (CID 55576050) is 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide?
The canonical SMILES for 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide is CCn1c(NNC(=O)C(C)Oc2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide?
The InChIKey is BTWBJXUSVWDIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-3-24-18(26)13-8-4-6-10-15(13)21-19(24)23-22-17(25)12(2)27-16-11-7-5-9-14(16)20/h4-12H,3H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide?
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide has a molecular weight of 386.84 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide is sourced from PubChem (CID 55576050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).