2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide

C24H29N5O3 — CID 46224947

IUPAC2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H29N5O3/c1-2-28-22(16-23(30)25-17-18-10-12-19(13-11-18)29(31)32)20-8-4-5-9-21(20)26-24(28)27-14-6-3-7-15-27/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,30)
InChIKeyYAOXFFYENABBKR-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.15
Rot. Bonds6

About 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide

2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 46224947) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID46224947
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H29N5O3/c1-2-28-22(16-23(30)25-17-18-10-12-19(13-11-18)29(31)32)20-8-4-5-9-21(20)26-24(28)27-14-6-3-7-15-27/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,30)
InChIKeyYAOXFFYENABBKR-UHFFFAOYSA-N
XLogP4.15
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.15
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-benzyl-2-(3-phenyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)acetamide
CID 9980573
N-(4-aminobenzyl)-2-(2-(dimethylamino)-3-phenyl-3,4-dihydroquinazolin-4-yl)acetamide
CID 44567628
2-(2-(dimethylamino)-3-phenyl-3,4-dihydroquinazolin-4-yl)-N-(4-nitrobenzyl)acetamide
CID 44567629
N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide
CID 2225138
N-benzyl-2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
CID 44416844
N-(4-aminobenzyl)-2-(3-phenyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)acetamide
CID 44342044
N-[1-(4-Nitro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11035595
N-(1-Benzyl-piperidin-4-yl)-2-(4-nitro-phenyl)-acetamide
CID 11792375
2-(7-amino-3-phenyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)-N-(4-nitrobenzyl)acetamide
CID 11167614
2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
CID 46224974
6-methyl-4-(2-nitrophenyl)-2-oxo-N-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2940292
2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]-N-benzylacetamide
CID 25112246

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide (CID 46224947) is 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide is CCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is YAOXFFYENABBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-28-22(16-23(30)25-17-18-10-12-19(13-11-18)29(31)32)20-8-4-5-9-21(20)26-24(28)27-14-6-3-7-15-27/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,30).
What are the key properties of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide?
2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 46224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).