N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine

C19H19N3O3S — CID 90446551

IUPACN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2
InChIInChI=1S/C19H19N3O3S/c1-25-15-4-3-12-7-14(8-13(12)9-15)22-19-17-10-16(26(2,23)24)5-6-18(17)20-11-21-19/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyDZEOCZDLXKVZGI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.62
Rot. Bonds4

About N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine

N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine (PubChem CID 90446551) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
PubChem CID90446551
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2
InChIInChI=1S/C19H19N3O3S/c1-25-15-4-3-12-7-14(8-13(12)9-15)22-19-17-10-16(26(2,23)24)5-6-18(17)20-11-21-19/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21,22)
InChIKeyDZEOCZDLXKVZGI-UHFFFAOYSA-N
XLogP2.62
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine
CID 123549718
N-(1,1-dioxothian-3-yl)-6-methylsulfonylquinazolin-4-amine
CID 154740242
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
CID 119049563
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 90446066
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
CID 123519413
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine?
The IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine (CID 90446551) is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine.
What is the SMILES notation for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine?
The canonical SMILES for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine is COc1ccc2c(c1)CC(Nc1ncnc3ccc(S(C)(=O)=O)cc13)C2.
What is the InChIKey of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine?
The InChIKey is DZEOCZDLXKVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-15-4-3-12-7-14(8-13(12)9-15)22-19-17-10-16(26(2,23)24)5-6-18(17)20-11-21-19/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine?
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine has a molecular weight of 369.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine is sourced from PubChem (CID 90446551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).