4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide

C30H29N3O4S — CID 42720812

IUPAC4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C30H29N3O4S/c1-4-19-32(38(35,36)26-17-15-25(37-3)16-18-26)21(2)29-31-28-12-8-7-11-27(28)30(34)33(29)24-14-13-22-9-5-6-10-23(22)20-24/h5-18,20-21H,4,19H2,1-3H3
InChIKeyOYMJJOKRWRFSDS-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.71
Rot. Bonds8

About 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide

4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide (PubChem CID 42720812) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide
PubChem CID42720812
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC Name4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C30H29N3O4S/c1-4-19-32(38(35,36)26-17-15-25(37-3)16-18-26)21(2)29-31-28-12-8-7-11-27(28)30(34)33(29)24-14-13-22-9-5-6-10-23(22)20-24/h5-18,20-21H,4,19H2,1-3H3
InChIKeyOYMJJOKRWRFSDS-UHFFFAOYSA-N
XLogP5.71
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbenzenesulfonamide
CID 42720845
4-methoxy-N-(2-methylpropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 42715475
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylnaphthalene-1-sulfonamide
CID 42721486
4-fluoro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzenesulfonamide
CID 3572587
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 42718462
N-ethyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 42718013
N-[1-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 10289039
4-tert-butyl-N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 42715422
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzenesulfonamide
CID 3392926
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-4-methoxy-N-methylbenzenesulfonamide
CID 42719807
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42720468

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide (CID 42720812) is 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide is CCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide?
The InChIKey is OYMJJOKRWRFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-4-19-32(38(35,36)26-17-15-25(37-3)16-18-26)21(2)29-31-28-12-8-7-11-27(28)30(34)33(29)24-14-13-22-9-5-6-10-23(22)20-24/h5-18,20-21H,4,19H2,1-3H3.
What are the key properties of 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide?
4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide has a molecular weight of 527.65 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 42720812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).