N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C14H16N4O4 — CID 7284295

IUPACN-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C14H16N4O4/c1-3-9(2)16-13(19)7-17-8-15-12-5-4-10(18(21)22)6-11(12)14(17)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyDQECTPNDJKLPOV-VIFPVBQESA-N
MW304.31 g/mol
LogP1.22
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7284295) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7284295
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C14H16N4O4/c1-3-9(2)16-13(19)7-17-8-15-12-5-4-10(18(21)22)6-11(12)14(17)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyDQECTPNDJKLPOV-VIFPVBQESA-N
XLogP1.22
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-nitro-4-oxoquinazolin-3-yl)-N-[(1R)-1-phenylbutyl]acetamide
CID 7534754
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 129375928
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
6-nitro-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-one
CID 7265612

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 7284295) is N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is CC[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DQECTPNDJKLPOV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-9(2)16-13(19)7-17-8-15-12-5-4-10(18(21)22)6-11(12)14(17)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7284295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).