N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide

C20H20N4O4 — CID 4904289

IUPACN-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H20N4O4/c25-19(22-15-9-11-16(12-10-15)24(27)28)8-2-1-5-13-23-14-21-18-7-4-3-6-17(18)20(23)26/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,22,25)
InChIKeyFHUOZKDCYLRQMO-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.50
Rot. Bonds8

About N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide

N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide (PubChem CID 4904289) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
PubChem CID4904289
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H20N4O4/c25-19(22-15-9-11-16(12-10-15)24(27)28)8-2-1-5-13-23-14-21-18-7-4-3-6-17(18)20(23)26/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,22,25)
InChIKeyFHUOZKDCYLRQMO-UHFFFAOYSA-N
XLogP3.50
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 45494949
1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
CID 18961883
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
6-[2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
CID 55427442
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
CID 30804576
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide?
The IUPAC name of N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide (CID 4904289) is N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide.
What is the SMILES notation for N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide?
The canonical SMILES for N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide is O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide?
The InChIKey is FHUOZKDCYLRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-19(22-15-9-11-16(12-10-15)24(27)28)8-2-1-5-13-23-14-21-18-7-4-3-6-17(18)20(23)26/h3-4,6-7,9-12,14H,1-2,5,8,13H2,(H,22,25).
What are the key properties of N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide?
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide has a molecular weight of 380.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide is sourced from PubChem (CID 4904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).