2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline

C19H15N3O3 — CID 135070380

IUPAC2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline
SMILESO=[N+]([O-])CC1c2ccccc2N=C(c2ccco2)N1c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-21(24)13-17-15-9-4-5-10-16(15)20-19(18-11-6-12-25-18)22(17)14-7-2-1-3-8-14/h1-12,17H,13H2
InChIKeyOGQMBNUIVRRKGX-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.20
Rot. Bonds4

About 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline

2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline (PubChem CID 135070380) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline
PubChem CID135070380
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline
SMILESO=[N+]([O-])CC1c2ccccc2N=C(c2ccco2)N1c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-21(24)13-17-15-9-4-5-10-16(15)20-19(18-11-6-12-25-18)22(17)14-7-2-1-3-8-14/h1-12,17H,13H2
InChIKeyOGQMBNUIVRRKGX-UHFFFAOYSA-N
XLogP4.20
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline?
The IUPAC name of 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline (CID 135070380) is 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline.
What is the SMILES notation for 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline?
The canonical SMILES for 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline is O=[N+]([O-])CC1c2ccccc2N=C(c2ccco2)N1c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline?
The InChIKey is OGQMBNUIVRRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-21(24)13-17-15-9-4-5-10-16(15)20-19(18-11-6-12-25-18)22(17)14-7-2-1-3-8-14/h1-12,17H,13H2.
What are the key properties of 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline?
2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline has a molecular weight of 333.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(nitromethyl)-3-phenyl-4H-quinazoline is sourced from PubChem (CID 135070380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).