6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine

C24H28N4O4S — CID 123549718

IUPAC6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NC3Cc4ccc(OCCN5CCOCC5)cc4C3)c2c1
InChIInChI=1S/C24H28N4O4S/c1-33(29,30)21-4-5-23-22(15-21)24(26-16-25-23)27-19-12-17-2-3-20(14-18(17)13-19)32-11-8-28-6-9-31-10-7-28/h2-5,14-16,19H,6-13H2,1H3,(H,25,26,27)
InChIKeyUQZOXOBOKFQJFQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.32
Rot. Bonds7

About 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine

6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine (PubChem CID 123549718) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine
PubChem CID123549718
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NC3Cc4ccc(OCCN5CCOCC5)cc4C3)c2c1
InChIInChI=1S/C24H28N4O4S/c1-33(29,30)21-4-5-23-22(15-21)24(26-16-25-23)27-19-12-17-2-3-20(14-18(17)13-19)32-11-8-28-6-9-31-10-7-28/h2-5,14-16,19H,6-13H2,1H3,(H,25,26,27)
InChIKeyUQZOXOBOKFQJFQ-UHFFFAOYSA-N
XLogP2.32
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine with MolForge

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Related Compounds

6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
4-[2-(3-methylsulfonyl-5-nitrophenoxy)ethyl]morpholine
CID 90002077
6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
CID 119049563
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 124843608
formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
CID 172911293
4-[2-(2,3-dihydro-1H-isoindol-5-yloxy)ethyl]morpholine
CID 66657088
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155513615

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine (CID 123549718) is 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine is CS(=O)(=O)c1ccc2ncnc(NC3Cc4ccc(OCCN5CCOCC5)cc4C3)c2c1.
What is the InChIKey of 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine?
The InChIKey is UQZOXOBOKFQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-33(29,30)21-4-5-23-22(15-21)24(26-16-25-23)27-19-12-17-2-3-20(14-18(17)13-19)32-11-8-28-6-9-31-10-7-28/h2-5,14-16,19H,6-13H2,1H3,(H,25,26,27).
What are the key properties of 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine?
6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine has a molecular weight of 468.58 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine is sourced from PubChem (CID 123549718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).