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

C18H17N3O — CID 143957176

IUPACN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2
InChIInChI=1S/C18H17N3O/c1-22-15-7-6-12-8-14(9-13(12)10-15)21-18-16-4-2-3-5-17(16)19-11-20-18/h2-7,10-11,14H,8-9H2,1H3,(H,19,20,21)
InChIKeyUWVIBXNHEDOWFJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.22
Rot. Bonds3

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

N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (PubChem CID 143957176) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
PubChem CID143957176
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2
InChIInChI=1S/C18H17N3O/c1-22-15-7-6-12-8-14(9-13(12)10-15)21-18-16-4-2-3-5-17(16)19-11-20-18/h2-7,10-11,14H,8-9H2,1H3,(H,19,20,21)
InChIKeyUWVIBXNHEDOWFJ-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (CID 143957176) is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is COc1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2.
What is the InChIKey of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The InChIKey is UWVIBXNHEDOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-15-7-6-12-8-14(9-13(12)10-15)21-18-16-4-2-3-5-17(16)19-11-20-18/h2-7,10-11,14H,8-9H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is sourced from PubChem (CID 143957176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).