6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine

C20H15N5O3 — CID 5346926

IUPAC6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H15N5O3/c1-13-7-9-17-16(11-13)19(14-5-3-2-4-6-14)23-20(22-17)24-21-12-15-8-10-18(28-15)25(26)27/h2-12H,1H3,(H,22,23,24)/b21-12-
InChIKeyHMJTZZLVDMCYCC-MTJSOVHGSA-N
MW373.37 g/mol
LogP4.55
Rot. Bonds5

About 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine

6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine (PubChem CID 5346926) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
PubChem CID5346926
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H15N5O3/c1-13-7-9-17-16(11-13)19(14-5-3-2-4-6-14)23-20(22-17)24-21-12-15-8-10-18(28-15)25(26)27/h2-12H,1H3,(H,22,23,24)/b21-12-
InChIKeyHMJTZZLVDMCYCC-MTJSOVHGSA-N
XLogP4.55
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine?
The IUPAC name of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine (CID 5346926) is 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is Cc1ccc2nc(N/N=C\c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine?
The InChIKey is HMJTZZLVDMCYCC-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-13-7-9-17-16(11-13)19(14-5-3-2-4-6-14)23-20(22-17)24-21-12-15-8-10-18(28-15)25(26)27/h2-12H,1H3,(H,22,23,24)/b21-12-.
What are the key properties of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine?
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine has a molecular weight of 373.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 5346926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).