5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

C19H17ClN4O3 — CID 46554488

IUPAC5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCCn1c(NNC(=O)C2Cc3cc(Cl)ccc3O2)nc2ccccc2c1=O
InChIInChI=1S/C19H17ClN4O3/c1-2-24-18(26)13-5-3-4-6-14(13)21-19(24)23-22-17(25)16-10-11-9-12(20)7-8-15(11)27-16/h3-9,16H,2,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyBTRBCPQEHDOQQQ-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.52
Rot. Bonds4

About 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 46554488) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID46554488
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCCn1c(NNC(=O)C2Cc3cc(Cl)ccc3O2)nc2ccccc2c1=O
InChIInChI=1S/C19H17ClN4O3/c1-2-24-18(26)13-5-3-4-6-14(13)21-19(24)23-22-17(25)16-10-11-9-12(20)7-8-15(11)27-16/h3-9,16H,2,10H2,1H3,(H,21,23)(H,22,25)
InChIKeyBTRBCPQEHDOQQQ-UHFFFAOYSA-N
XLogP2.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 46554488) is 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is CCn1c(NNC(=O)C2Cc3cc(Cl)ccc3O2)nc2ccccc2c1=O.
What is the InChIKey of 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is BTRBCPQEHDOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-2-24-18(26)13-5-3-4-6-14(13)21-19(24)23-22-17(25)16-10-11-9-12(20)7-8-15(11)27-16/h3-9,16H,2,10H2,1H3,(H,21,23)(H,22,25).
What are the key properties of 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 384.82 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 46554488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).