2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one

C23H21FN4O3 — CID 9299885

IUPAC2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
SMILESCOCCCn1c(N/N=C\c2ccc(-c3ccccc3F)o2)nc2ccccc2c1=O
InChIInChI=1S/C23H21FN4O3/c1-30-14-6-13-28-22(29)18-8-3-5-10-20(18)26-23(28)27-25-15-16-11-12-21(31-16)17-7-2-4-9-19(17)24/h2-5,7-12,15H,6,13-14H2,1H3,(H,26,27)/b25-15-
InChIKeyDJULGWDREJEFRC-MYYYXRDXSA-N
MW420.44 g/mol
LogP4.28
Rot. Bonds8

About 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one

2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one (PubChem CID 9299885) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
PubChem CID9299885
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
SMILESCOCCCn1c(N/N=C\c2ccc(-c3ccccc3F)o2)nc2ccccc2c1=O
InChIInChI=1S/C23H21FN4O3/c1-30-14-6-13-28-22(29)18-8-3-5-10-20(18)26-23(28)27-25-15-16-11-12-21(31-16)17-7-2-4-9-19(17)24/h2-5,7-12,15H,6,13-14H2,1H3,(H,26,27)/b25-15-
InChIKeyDJULGWDREJEFRC-MYYYXRDXSA-N
XLogP4.28
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5-methylfuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299457
3-(3-methoxypropyl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]quinazolin-4-one
CID 9299099
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-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984155
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
3-(3-methoxypropyl)-2-[(2Z)-2-[1-(2,4,6-trimethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 9299763
3-(3-methoxypropyl)-2-[2-(4-phenylcyclohexylidene)hydrazinyl]quinazolin-4-one
CID 9299535
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625767
2-[(2Z)-2-[1-(2-methoxy-5-methylphenyl)ethylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299851
2-[(2E)-2-[1-(2-hydroxy-5-methylphenyl)propylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135839960

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one (CID 9299885) is 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one is COCCCn1c(N/N=C\c2ccc(-c3ccccc3F)o2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one?
The InChIKey is DJULGWDREJEFRC-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-30-14-6-13-28-22(29)18-8-3-5-10-20(18)26-23(28)27-25-15-16-11-12-21(31-16)17-7-2-4-9-19(17)24/h2-5,7-12,15H,6,13-14H2,1H3,(H,26,27)/b25-15-.
What are the key properties of 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one?
2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one has a molecular weight of 420.44 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one is sourced from PubChem (CID 9299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).