N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide

C12H13ClN4O2 — CID 22693205

IUPACN'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H13ClN4O2/c1-19-7-6-10(18)16-17-11-8-4-2-3-5-9(8)14-12(13)15-11/h2-5H,6-7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyKYYKPRKEJCPYSX-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.76
Rot. Bonds5

About N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide

N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide (PubChem CID 22693205) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound NameN'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
PubChem CID22693205
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H13ClN4O2/c1-19-7-6-10(18)16-17-11-8-4-2-3-5-9(8)14-12(13)15-11/h2-5H,6-7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyKYYKPRKEJCPYSX-UHFFFAOYSA-N
XLogP1.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.76
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

ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
CID 13191626
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide
CID 42864303
1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
CID 59299621
N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
CID 90259926
2-chloro-4-dimethoxyphosphorylquinazoline
CID 134912804
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
N'-(2-chloro-8-methylquinazolin-4-yl)-2-hydroxyacetohydrazide
CID 90258369
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide?
The IUPAC name of N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide (CID 22693205) is N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide?
The canonical SMILES for N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide is COCCC(=O)NNc1nc(Cl)nc2ccccc12.
What is the InChIKey of N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide?
The InChIKey is KYYKPRKEJCPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-19-7-6-10(18)16-17-11-8-4-2-3-5-9(8)14-12(13)15-11/h2-5H,6-7H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide?
N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide has a molecular weight of 280.72 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 22693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).