N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide

C21H26N4O5S — CID 10204016

IUPACN-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncnc3cc(OCCCN(C)C)c(OC)cc23)cc1
InChIInChI=1S/C21H26N4O5S/c1-25(2)10-5-11-30-20-13-18-17(12-19(20)29-4)21(23-14-22-18)24-31(26,27)16-8-6-15(28-3)7-9-16/h6-9,12-14H,5,10-11H2,1-4H3,(H,22,23,24)
InChIKeyTVGPTCKDDGJEOH-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.78
Rot. Bonds10

About N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide

N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 10204016) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID10204016
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncnc3cc(OCCCN(C)C)c(OC)cc23)cc1
InChIInChI=1S/C21H26N4O5S/c1-25(2)10-5-11-30-20-13-18-17(12-19(20)29-4)21(23-14-22-18)24-31(26,27)16-8-6-15(28-3)7-9-16/h6-9,12-14H,5,10-11H2,1-4H3,(H,22,23,24)
InChIKeyTVGPTCKDDGJEOH-UHFFFAOYSA-N
XLogP2.78
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
N-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-2-methylbenzenesulfonamide
CID 10276098
4-[4-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]oxybenzenesulfonamide
CID 11584517
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
N-[7-[2-(diethylamino)ethoxy]-6-methoxyquinazolin-4-yl]-5-phenylsulfanylthiophene-2-sulfonamide
CID 10187343
6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
7-[7-methoxy-4-[1-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 66755705
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide;dihydrochloride
CID 146050486
7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155852

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide (CID 10204016) is N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncnc3cc(OCCCN(C)C)c(OC)cc23)cc1.
What is the InChIKey of N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is TVGPTCKDDGJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-25(2)10-5-11-30-20-13-18-17(12-19(20)29-4)21(23-14-22-18)24-31(26,27)16-8-6-15(28-3)7-9-16/h6-9,12-14H,5,10-11H2,1-4H3,(H,22,23,24).
What are the key properties of N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide?
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 10204016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).