N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide

C23H29N3O3S — CID 42717618

IUPACN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H29N3O3S/c1-4-5-8-13-25(23(28)20-12-9-16-30-20)17(2)21-24-19-11-7-6-10-18(19)22(27)26(21)14-15-29-3/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3
InChIKeyWXBCBYKTSFCSMA-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.50
Rot. Bonds10

About N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide (PubChem CID 42717618) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
PubChem CID42717618
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C23H29N3O3S/c1-4-5-8-13-25(23(28)20-12-9-16-30-20)17(2)21-24-19-11-7-6-10-18(19)22(27)26(21)14-15-29-3/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3
InChIKeyWXBCBYKTSFCSMA-UHFFFAOYSA-N
XLogP4.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 93105333
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
3-(3-bromophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42717799
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 3902636
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide (CID 42717618) is N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide is CCCCCN(C(=O)c1cccs1)C(C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide?
The InChIKey is WXBCBYKTSFCSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-5-8-13-25(23(28)20-12-9-16-30-20)17(2)21-24-19-11-7-6-10-18(19)22(27)26(21)14-15-29-3/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3.
What are the key properties of N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide?
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 42717618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).