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

C18H15ClN4O3 — CID 135915051

IUPAC3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O3/c19-12-5-3-4-11(10-12)17(25)23-22-16(24)9-8-15-20-14-7-2-1-6-13(14)18(26)21-15/h1-7,10H,8-9H2,(H,22,24)(H,23,25)(H,20,21,26)
InChIKeyMBERQSRLHIHUOX-UHFFFAOYSA-N
MW370.80 g/mol
LogP1.97
Rot. Bonds4

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

3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (PubChem CID 135915051) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
PubChem CID135915051
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN4O3/c19-12-5-3-4-11(10-12)17(25)23-22-16(24)9-8-15-20-14-7-2-1-6-13(14)18(26)21-15/h1-7,10H,8-9H2,(H,22,24)(H,23,25)(H,20,21,26)
InChIKeyMBERQSRLHIHUOX-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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Related Compounds

4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
4-[(4-chloro-3-methylphenoxy)methyl]-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135991431
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
CID 27449168
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 135462126
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137300679

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (CID 135915051) is 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The InChIKey is MBERQSRLHIHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c19-12-5-3-4-11(10-12)17(25)23-22-16(24)9-8-15-20-14-7-2-1-6-13(14)18(26)21-15/h1-7,10H,8-9H2,(H,22,24)(H,23,25)(H,20,21,26).
What are the key properties of 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
3-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 3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 135915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).