N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide

C13H15ClN4O3 — CID 90259926

IUPACN'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
SMILESCOc1cccc2c(NNC(=O)CC(C)O)nc(Cl)nc12
InChIInChI=1S/C13H15ClN4O3/c1-7(19)6-10(20)17-18-12-8-4-3-5-9(21-2)11(8)15-13(14)16-12/h3-5,7,19H,6H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyGROALUHPRNKUDC-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.51
Rot. Bonds5

About N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide

N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide (PubChem CID 90259926) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide.

Molecular Properties

Compound NameN'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
PubChem CID90259926
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC NameN'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
SMILESCOc1cccc2c(NNC(=O)CC(C)O)nc(Cl)nc12
InChIInChI=1S/C13H15ClN4O3/c1-7(19)6-10(20)17-18-12-8-4-3-5-9(21-2)11(8)15-13(14)16-12/h3-5,7,19H,6H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyGROALUHPRNKUDC-UHFFFAOYSA-N
XLogP1.51
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chloro-8-methylquinazolin-4-yl)-2-hydroxyacetohydrazide
CID 90258369
ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
CID 159467255
1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine
CID 105499800
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
CID 22693205
2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
CID 117264534
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide?
The IUPAC name of N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide (CID 90259926) is N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide.
What is the SMILES notation for N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide?
The canonical SMILES for N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide is COc1cccc2c(NNC(=O)CC(C)O)nc(Cl)nc12.
What is the InChIKey of N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide?
The InChIKey is GROALUHPRNKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-7(19)6-10(20)17-18-12-8-4-3-5-9(21-2)11(8)15-13(14)16-12/h3-5,7,19H,6H2,1-2H3,(H,17,20)(H,15,16,18).
What are the key properties of N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide?
N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide has a molecular weight of 310.74 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide is sourced from PubChem (CID 90259926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).