N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide

C20H25N3O3 — CID 18887112

IUPACN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C20H25N3O3/c1-2-3-4-5-6-13-18(24)22-23-19(17-12-9-14-26-17)21-16-11-8-7-10-15(16)20(23)25/h7-12,14,19,21H,2-6,13H2,1H3,(H,22,24)
InChIKeyDCCGTWBKVRVPNB-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide

N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide (PubChem CID 18887112) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
PubChem CID18887112
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1
InChIInChI=1S/C20H25N3O3/c1-2-3-4-5-6-13-18(24)22-23-19(17-12-9-14-26-17)21-16-11-8-7-10-15(16)20(23)25/h7-12,14,19,21H,2-6,13H2,1H3,(H,22,24)
InChIKeyDCCGTWBKVRVPNB-UHFFFAOYSA-N
XLogP4.24
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide with MolForge

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Related Compounds

2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
2-(furan-2-yl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 47105721
2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778713
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
CID 18887526
(2S)-2-(furan-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 41024276
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
(2R)-3-(4-fluorophenyl)-2-(furan-2-yl)-1,2-dihydroquinazolin-4-one
CID 7027322
N-(6-chloro-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl)octanamide
CID 18887067
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
CID 18887543
N-[6-bromo-2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)propanamide
CID 18887505

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The IUPAC name of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide (CID 18887112) is N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The canonical SMILES for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide is CCCCCCCC(=O)NN1C(=O)c2ccccc2NC1c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The InChIKey is DCCGTWBKVRVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-3-4-5-6-13-18(24)22-23-19(17-12-9-14-26-17)21-16-11-8-7-10-15(16)20(23)25/h7-12,14,19,21H,2-6,13H2,1H3,(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide has a molecular weight of 355.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide is sourced from PubChem (CID 18887112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).