7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

C24H29Cl2N4O5S+ — CID 142852602

IUPAC7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCCCCS(=O)(=O)[NH+]1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
InChIInChI=1S/C24H28Cl2N4O5S/c1-3-4-9-36(31,32)30-7-8-34-17(13-30)14-35-23-12-21-18(11-22(23)33-2)24(28-15-27-21)29-16-5-6-19(25)20(26)10-16/h5-6,10-12,15,17H,3-4,7-9,13-14H2,1-2H3,(H,27,28,29)/p+1
InChIKeyCKIBKYNCWLLXRU-UHFFFAOYSA-O
MW556.49 g/mol
LogP3.48
Rot. Bonds10

About 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 142852602) has the molecular formula C24H29Cl2N4O5S+ and a molecular weight of 556.49 g/mol. Its IUPAC name is 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID142852602
Molecular FormulaC24H29Cl2N4O5S+
Molecular Weight556.49 g/mol
Exact Mass555.12
IUPAC Name7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCCCCS(=O)(=O)[NH+]1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
InChIInChI=1S/C24H28Cl2N4O5S/c1-3-4-9-36(31,32)30-7-8-34-17(13-30)14-35-23-12-21-18(11-22(23)33-2)24(28-15-27-21)29-16-5-6-19(25)20(26)10-16/h5-6,10-12,15,17H,3-4,7-9,13-14H2,1-2H3,(H,27,28,29)/p+1
InChIKeyCKIBKYNCWLLXRU-UHFFFAOYSA-O
XLogP3.48
TPSA104.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402
7-[[4-[diazo(ethylamino)methyl]morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 163576178
7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838511
4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309
CID 142852608
CID 142852608
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
CID 142852302
4-(3,4-dichloroanilino)-7-[(4-ethylmorpholin-2-yl)methoxy]quinazolin-6-ol
CID 66838580
7-[[(8aR)-1,3,5,6,8,8a-hexahydro-[1,3]thiazolo[4,3-c][1,4]oxazin-6-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 58013770

Frequently Asked Questions

What is the IUPAC name of 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (CID 142852602) is 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is CCCCS(=O)(=O)[NH+]1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1.
What is the InChIKey of 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is CKIBKYNCWLLXRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28Cl2N4O5S/c1-3-4-9-36(31,32)30-7-8-34-17(13-30)14-35-23-12-21-18(11-22(23)33-2)24(28-15-27-21)29-16-5-6-19(25)20(26)10-16/h5-6,10-12,15,17H,3-4,7-9,13-14H2,1-2H3,(H,27,28,29)/p+1.
What are the key properties of 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 556.49 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 142852602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).