N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide

C20H19N5O2 — CID 46554469

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C20H19N5O2/c1-3-25-19(27)14-9-4-6-10-16(14)21-20(25)23-22-18(26)15-12-24(2)17-11-7-5-8-13(15)17/h4-12H,3H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyRKIUQFIMVUYHAA-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.66
Rot. Bonds4

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide (PubChem CID 46554469) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
PubChem CID46554469
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
SMILESCCn1c(NNC(=O)c2cn(C)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C20H19N5O2/c1-3-25-19(27)14-9-4-6-10-16(14)21-20(25)23-22-18(26)15-12-24(2)17-11-7-5-8-13(15)17/h4-12H,3H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyRKIUQFIMVUYHAA-UHFFFAOYSA-N
XLogP2.66
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.66
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'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 24598228
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 24598227
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 24598222
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide (CID 46554469) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide is CCn1c(NNC(=O)c2cn(C)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide?
The InChIKey is RKIUQFIMVUYHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-25-19(27)14-9-4-6-10-16(14)21-20(25)23-22-18(26)15-12-24(2)17-11-7-5-8-13(15)17/h4-12H,3H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide has a molecular weight of 361.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 46554469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).