N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide

C23H28N4O4S — CID 10276098

IUPACN-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
SMILESCOc1cc2c(NS(=O)(=O)c3ccccc3C)ncnc2cc1OCCN1CCCCC1
InChIInChI=1S/C23H28N4O4S/c1-17-8-4-5-9-22(17)32(28,29)26-23-18-14-20(30-2)21(15-19(18)24-16-25-23)31-13-12-27-10-6-3-7-11-27/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H,24,25,26)
InChIKeyMBPXDKSBLQGWCM-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.61
Rot. Bonds8

About N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide

N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide (PubChem CID 10276098) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
PubChem CID10276098
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
SMILESCOc1cc2c(NS(=O)(=O)c3ccccc3C)ncnc2cc1OCCN1CCCCC1
InChIInChI=1S/C23H28N4O4S/c1-17-8-4-5-9-22(17)32(28,29)26-23-18-14-20(30-2)21(15-19(18)24-16-25-23)31-13-12-27-10-6-3-7-11-27/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H,24,25,26)
InChIKeyMBPXDKSBLQGWCM-UHFFFAOYSA-N
XLogP3.61
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-dimethylphenyl)-3-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]thiourea
CID 22243890
N-[3-fluoro-4-[[6-methoxy-7-(2-piperidin-1-ylethoxy)quinolin-4-yl]methyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70964488
2-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914085
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
CID 10204016
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 10296738
2-tert-butyl-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxylate
CID 22260358
9-methoxy-3-phenyl-8-(2-pyrrolidin-1-ylethoxy)-[1,2,4]triazolo[4,3-c]quinazoline
CID 142687218
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
6-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 85136523

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide (CID 10276098) is N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide is COc1cc2c(NS(=O)(=O)c3ccccc3C)ncnc2cc1OCCN1CCCCC1.
What is the InChIKey of N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide?
The InChIKey is MBPXDKSBLQGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17-8-4-5-9-22(17)32(28,29)26-23-18-14-20(30-2)21(15-19(18)24-16-25-23)31-13-12-27-10-6-3-7-11-27/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3,(H,24,25,26).
What are the key properties of N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide?
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10276098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).