N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide

C28H37N3O3 — CID 42712106

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCOC)C(CC)c2nc3ccccc3c(=O)n2CC)cc1
InChIInChI=1S/C28H37N3O3/c1-5-8-9-12-21-15-17-22(18-16-21)27(32)31(19-20-34-4)25(6-2)26-29-24-14-11-10-13-23(24)28(33)30(26)7-3/h10-11,13-18,25H,5-9,12,19-20H2,1-4H3
InChIKeyVPKGMIIHOSGOIP-UHFFFAOYSA-N
MW463.62 g/mol
LogP5.39
Rot. Bonds12

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide (PubChem CID 42712106) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
PubChem CID42712106
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCOC)C(CC)c2nc3ccccc3c(=O)n2CC)cc1
InChIInChI=1S/C28H37N3O3/c1-5-8-9-12-21-15-17-22(18-16-21)27(32)31(19-20-34-4)25(6-2)26-29-24-14-11-10-13-23(24)28(33)30(26)7-3/h10-11,13-18,25H,5-9,12,19-20H2,1-4H3
InChIKeyVPKGMIIHOSGOIP-UHFFFAOYSA-N
XLogP5.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
CID 5141627
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42713661
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide (CID 42712106) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(CCOC)C(CC)c2nc3ccccc3c(=O)n2CC)cc1.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
The InChIKey is VPKGMIIHOSGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-5-8-9-12-21-15-17-22(18-16-21)27(32)31(19-20-34-4)25(6-2)26-29-24-14-11-10-13-23(24)28(33)30(26)7-3/h10-11,13-18,25H,5-9,12,19-20H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide has a molecular weight of 463.62 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide is sourced from PubChem (CID 42712106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).