2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide

C18H15ClN4O3 — CID 135857720

IUPAC2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN4O3/c19-13-7-3-1-5-11(13)18(26)23-22-16(24)10-9-15-20-14-8-4-2-6-12(14)17(25)21-15/h1-8H,9-10H2,(H,22,24)(H,23,26)(H,20,21,25)
InChIKeyXFFWIARSCSUMNJ-UHFFFAOYSA-N
MW370.80 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide

2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (PubChem CID 135857720) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
PubChem CID135857720
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN4O3/c19-13-7-3-1-5-11(13)18(26)23-22-16(24)10-9-15-20-14-8-4-2-6-12(14)17(25)21-15/h1-8H,9-10H2,(H,22,24)(H,23,26)(H,20,21,25)
InChIKeyXFFWIARSCSUMNJ-UHFFFAOYSA-N
XLogP1.97
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (CID 135857720) is 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The InChIKey is XFFWIARSCSUMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c19-13-7-3-1-5-11(13)18(26)23-22-16(24)10-9-15-20-14-8-4-2-6-12(14)17(25)21-15/h1-8H,9-10H2,(H,22,24)(H,23,26)(H,20,21,25).
What are the key properties of 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide has a molecular weight of 370.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 135857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).