N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide

C28H25N3O4S — CID 42720888

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccccc1-n1c(C(C)N(C)S(=O)(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C28H25N3O4S/c1-19(30(2)36(33,34)22-17-16-20-10-4-5-11-21(20)18-22)27-29-24-13-7-6-12-23(24)28(32)31(27)25-14-8-9-15-26(25)35-3/h4-19H,1-3H3
InChIKeyBWAJGDUXPYCIMM-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.93
Rot. Bonds6

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 42720888) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID42720888
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
SMILESCOc1ccccc1-n1c(C(C)N(C)S(=O)(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C28H25N3O4S/c1-19(30(2)36(33,34)22-17-16-20-10-4-5-11-21(20)18-22)27-29-24-13-7-6-12-23(24)28(32)31(27)25-14-8-9-15-26(25)35-3/h4-19H,1-3H3
InChIKeyBWAJGDUXPYCIMM-UHFFFAOYSA-N
XLogP4.93
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720890
4-tert-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 10196000
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
3-(2-methoxyphenyl)-2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42722370
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
CID 42723013
N-[1-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 10289039
4-tert-butyl-N-[1-[3-[4-(2-methoxyphenyl)phenyl]-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 66690041
N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
CID 66689029
4-chloro-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzenesulfonamide
CID 42720229
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42720870
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenylacetamide
CID 42720910

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide (CID 42720888) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide is COc1ccccc1-n1c(C(C)N(C)S(=O)(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is BWAJGDUXPYCIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-19(30(2)36(33,34)22-17-16-20-10-4-5-11-21(20)18-22)27-29-24-13-7-6-12-23(24)28(32)31(27)25-14-8-9-15-26(25)35-3/h4-19H,1-3H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 42720888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).