4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

C19H21N5O3 — CID 18139314

IUPAC4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O3/c1-5-24-18(27)13-8-6-7-9-14(13)21-19(24)23-22-17(26)16-10(2)15(12(4)25)11(3)20-16/h6-9,20H,5H2,1-4H3,(H,21,23)(H,22,26)
InChIKeyNWQWHEKZHLEXTE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.32
Rot. Bonds5

About 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (PubChem CID 18139314) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
PubChem CID18139314
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O
InChIInChI=1S/C19H21N5O3/c1-5-24-18(27)13-8-6-7-9-14(13)21-19(24)23-22-17(26)16-10(2)15(12(4)25)11(3)20-16/h6-9,20H,5H2,1-4H3,(H,21,23)(H,22,26)
InChIKeyNWQWHEKZHLEXTE-UHFFFAOYSA-N
XLogP2.32
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 134001910
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CID 51251526
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
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CID 46554469
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
CID 46604334
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
CID 24598230
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (CID 18139314) is 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is CCn1c(NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O.
What is the InChIKey of 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is NWQWHEKZHLEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-24-18(27)13-8-6-7-9-14(13)21-19(24)23-22-17(26)16-10(2)15(12(4)25)11(3)20-16/h6-9,20H,5H2,1-4H3,(H,21,23)(H,22,26).
What are the key properties of 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 367.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 18139314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).