4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide

C21H24N4O2 — CID 68599915

IUPAC4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccc3nc(N)nc(OCC)c3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-5-12-23-19(26)15-8-6-14(7-9-15)16-10-11-18-17(13-16)20(27-4-2)25-21(22)24-18/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeySDKAPWJIVPGAIG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.81
Rot. Bonds7

About 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide

4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide (PubChem CID 68599915) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide.

Molecular Properties

Compound Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
PubChem CID68599915
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2ccc3nc(N)nc(OCC)c3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-5-12-23-19(26)15-8-6-14(7-9-15)16-10-11-18-17(13-16)20(27-4-2)25-21(22)24-18/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeySDKAPWJIVPGAIG-UHFFFAOYSA-N
XLogP3.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-ethoxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68602035
4-(2-amino-4-ethoxyquinazolin-6-yl)-N,N-dimethylbenzamide
CID 68599659
4-(2-amino-4-propan-2-yloxyquinazolin-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 68601022
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
CID 87511779
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
CID 68602190
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
CID 68602490
N-butyl-4-phenylbenzamide
CID 3637649
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
CID 68600652
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
N-decyl-4-ethoxybenzamide
CID 4123784
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide?
The IUPAC name of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide (CID 68599915) is 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide.
What is the SMILES notation for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide?
The canonical SMILES for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide is CCCCNC(=O)c1ccc(-c2ccc3nc(N)nc(OCC)c3c2)cc1.
What is the InChIKey of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide?
The InChIKey is SDKAPWJIVPGAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-5-12-23-19(26)15-8-6-14(7-9-15)16-10-11-18-17(13-16)20(27-4-2)25-21(22)24-18/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,22,24,25).
What are the key properties of 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide?
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide is sourced from PubChem (CID 68599915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).