3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one

C24H28N4O2 — CID 9299535

IUPAC3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
SMILESCOCCCn1c(NN=C2CCC(c3ccccc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H28N4O2/c1-30-17-7-16-28-23(29)21-10-5-6-11-22(21)25-24(28)27-26-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,27)/b26-20-
InChIKeyHIKMVGUXONPPRC-QOMWVZHYSA-N
MW404.51 g/mol
LogP4.56
Rot. Bonds7

About 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one

3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one (PubChem CID 9299535) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
PubChem CID9299535
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
SMILESCOCCCn1c(NN=C2CCC(c3ccccc3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C24H28N4O2/c1-30-17-7-16-28-23(29)21-10-5-6-11-22(21)25-24(28)27-26-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,27)/b26-20-
InChIKeyHIKMVGUXONPPRC-QOMWVZHYSA-N
XLogP4.56
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropyl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]quinazolin-4-one
CID 9299099
3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 9299763
3-(3-methoxypropyl)-2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299457
2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299253
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
2-[(2Z)-2-[1-(2-methoxy-5-methylphenyl)ethylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299851
2-[2-(2-adamantylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983496
2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299885
2-[(2E)-2-[1-(2-hydroxy-5-methylphenyl)propylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135839960
2-[(2Z)-2-[1-(3,4-difluorophenyl)ethylidene]hydrazinyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 8984479
2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-3-ethylquinazolin-4-one
CID 8983845
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one (CID 9299535) is 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one is COCCCn1c(NN=C2CCC(c3ccccc3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is HIKMVGUXONPPRC-QOMWVZHYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-17-7-16-28-23(29)21-10-5-6-11-22(21)25-24(28)27-26-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-11,19H,7,12-17H2,1H3,(H,25,27)/b26-20-.
What are the key properties of 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one?
3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 404.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 9299535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).