[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine

C15H15ClN4O — CID 152747629

IUPAC[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine
SMILESCOC1=CCC(NN)(c2ncnc3cc(Cl)ccc23)C=C1
InChIInChI=1S/C15H15ClN4O/c1-21-11-4-6-15(20-17,7-5-11)14-12-3-2-10(16)8-13(12)18-9-19-14/h2-6,8-9,20H,7,17H2,1H3
InChIKeyOXCKDZVJHZSKOE-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.43
Rot. Bonds3

About [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine

[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine (PubChem CID 152747629) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine
PubChem CID152747629
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine
SMILESCOC1=CCC(NN)(c2ncnc3cc(Cl)ccc23)C=C1
InChIInChI=1S/C15H15ClN4O/c1-21-11-4-6-15(20-17,7-5-11)14-12-3-2-10(16)8-13(12)18-9-19-14/h2-6,8-9,20H,7,17H2,1H3
InChIKeyOXCKDZVJHZSKOE-UHFFFAOYSA-N
XLogP2.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine 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

1-(7-chloroquinazolin-4-yl)cyclopropan-1-amine
CID 105475082
7-chloro-4-methylquinazoline;ethane
CID 142542904
7-chloro-N-methoxy-N-methylquinazolin-4-amine
CID 119091213
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
4-(7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 150881837
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
CID 121266826
7-chloro-N-(1-ethenylcyclohexa-2,4-dien-1-yl)quinazolin-4-amine
CID 174276260
4,7-dichloro-2-methoxyquinoline
CID 21101818
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
4,7-dichloroquinoline
CID 6866

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine?
The IUPAC name of [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine (CID 152747629) is [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine.
What is the SMILES notation for [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine?
The canonical SMILES for [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine is COC1=CCC(NN)(c2ncnc3cc(Cl)ccc23)C=C1.
What is the InChIKey of [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine?
The InChIKey is OXCKDZVJHZSKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-21-11-4-6-15(20-17,7-5-11)14-12-3-2-10(16)8-13(12)18-9-19-14/h2-6,8-9,20H,7,17H2,1H3.
What are the key properties of [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine?
[1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine has a molecular weight of 302.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloroquinazolin-4-yl)-4-methoxycyclohexa-2,4-dien-1-yl]hydrazine is sourced from PubChem (CID 152747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).