N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide

C20H17N5O3 — CID 18289419

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C20H17N5O3/c1-2-25-19(28)13-8-4-6-10-16(13)22-20(25)24-23-18(27)14-11-17(26)21-15-9-5-3-7-12(14)15/h3-11H,2H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyHUPWAVDWCCZHFM-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.01
Rot. Bonds4

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide (PubChem CID 18289419) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
PubChem CID18289419
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C20H17N5O3/c1-2-25-19(28)13-8-4-6-10-16(13)22-20(25)24-23-18(27)14-11-17(26)21-15-9-5-3-7-12(14)15/h3-11H,2H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyHUPWAVDWCCZHFM-UHFFFAOYSA-N
XLogP2.01
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.01
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

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
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
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
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
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314
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
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 24598228

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide (CID 18289419) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide is CCn1c(NNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide?
The InChIKey is HUPWAVDWCCZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-25-19(28)13-8-4-6-10-16(13)22-20(25)24-23-18(27)14-11-17(26)21-15-9-5-3-7-12(14)15/h3-11H,2H2,1H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide is sourced from PubChem (CID 18289419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).