2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

C19H24N4O — CID 137250270

IUPAC2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCc1ccc(C)c2c1CC1(CCCCC1)c1c-2nc(NN)[nH]c1=O
InChIInChI=1S/C19H24N4O/c1-11-6-7-12(2)14-13(11)10-19(8-4-3-5-9-19)15-16(14)21-18(23-20)22-17(15)24/h6-7H,3-5,8-10,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyMSGSTFZZHMZRID-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.10
Rot. Bonds1

About 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 137250270) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID137250270
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCc1ccc(C)c2c1CC1(CCCCC1)c1c-2nc(NN)[nH]c1=O
InChIInChI=1S/C19H24N4O/c1-11-6-7-12(2)14-13(11)10-19(8-4-3-5-9-19)15-16(14)21-18(23-20)22-17(15)24/h6-7H,3-5,8-10,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyMSGSTFZZHMZRID-UHFFFAOYSA-N
XLogP3.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 137250270) is 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is Cc1ccc(C)c2c1CC1(CCCCC1)c1c-2nc(NN)[nH]c1=O.
What is the InChIKey of 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is MSGSTFZZHMZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-11-6-7-12(2)14-13(11)10-19(8-4-3-5-9-19)15-16(14)21-18(23-20)22-17(15)24/h6-7H,3-5,8-10,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 324.43 g/mol, XLogP of 3.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 137250270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).