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

C18H19N3O — CID 11988634

IUPACN-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine
SMILESCOc1ccc2c(c1)CN=C(NC1CCc3ccccc31)N2
InChIInChI=1S/C18H19N3O/c1-22-14-7-9-16-13(10-14)11-19-18(20-16)21-17-8-6-12-4-2-3-5-15(12)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H2,19,20,21)
InChIKeyYWXKFKZFKQMWCE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds2

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

N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine (PubChem CID 11988634) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine
PubChem CID11988634
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine
SMILESCOc1ccc2c(c1)CN=C(NC1CCc3ccccc31)N2
InChIInChI=1S/C18H19N3O/c1-22-14-7-9-16-13(10-14)11-19-18(20-16)21-17-8-6-12-4-2-3-5-15(12)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H2,19,20,21)
InChIKeyYWXKFKZFKQMWCE-UHFFFAOYSA-N
XLogP3.25
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(2-chloro-5-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454516
4-(2,5-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1,4-dihydroquinazolin-2-amine
CID 58727604
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylpyridin-3-amine
CID 79367060
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine (CID 11988634) is N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine is COc1ccc2c(c1)CN=C(NC1CCc3ccccc31)N2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine?
The InChIKey is YWXKFKZFKQMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-14-7-9-16-13(10-14)11-19-18(20-16)21-17-8-6-12-4-2-3-5-15(12)17/h2-5,7,9-10,17H,6,8,11H2,1H3,(H2,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 11988634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).