N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

C19H16N4O5 — CID 78789549

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H16N4O5/c24-18(21-15-7-8-28-17-4-2-1-3-13(15)17)10-22-11-20-16-9-12(23(26)27)5-6-14(16)19(22)25/h1-6,9,11,15H,7-8,10H2,(H,21,24)
InChIKeyBRJIXXLEFPIVBB-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.94
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 78789549) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID78789549
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H16N4O5/c24-18(21-15-7-8-28-17-4-2-1-3-13(15)17)10-22-11-20-16-9-12(23(26)27)5-6-14(16)19(22)25/h1-6,9,11,15H,7-8,10H2,(H,21,24)
InChIKeyBRJIXXLEFPIVBB-UHFFFAOYSA-N
XLogP1.94
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 78789549) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BRJIXXLEFPIVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c24-18(21-15-7-8-28-17-4-2-1-3-13(15)17)10-22-11-20-16-9-12(23(26)27)5-6-14(16)19(22)25/h1-6,9,11,15H,7-8,10H2,(H,21,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 380.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 78789549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).