4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide

C19H17ClN4O3 — CID 27147734

IUPAC4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccc(Cl)cc3)cnc12
InChIInChI=1S/C19H17ClN4O3/c1-12-3-2-4-15-17(12)21-11-24(19(15)27)10-9-16(25)22-23-18(26)13-5-7-14(20)8-6-13/h2-8,11H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXRCPFLQZDAACKU-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide

4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide (PubChem CID 27147734) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
PubChem CID27147734
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccc(Cl)cc3)cnc12
InChIInChI=1S/C19H17ClN4O3/c1-12-3-2-4-15-17(12)21-11-24(19(15)27)10-9-16(25)22-23-18(26)13-5-7-14(20)8-6-13/h2-8,11H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXRCPFLQZDAACKU-UHFFFAOYSA-N
XLogP2.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
CID 60532069
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide (CID 27147734) is 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide is Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccc(Cl)cc3)cnc12.
What is the InChIKey of 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The InChIKey is XRCPFLQZDAACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-12-3-2-4-15-17(12)21-11-24(19(15)27)10-9-16(25)22-23-18(26)13-5-7-14(20)8-6-13/h2-8,11H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide has a molecular weight of 384.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 27147734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).