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

C19H19N3O — CID 123519413

IUPACN-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
SMILESCOc1ccc2c(c1)CCC2Nc1ncnc2ccc(C)cc12
InChIInChI=1S/C19H19N3O/c1-12-3-7-17-16(9-12)19(21-11-20-17)22-18-8-4-13-10-14(23-2)5-6-15(13)18/h3,5-7,9-11,18H,4,8H2,1-2H3,(H,20,21,22)
InChIKeyAOUTZAPHPSXFLT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds3

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

N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine (PubChem CID 123519413) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
PubChem CID123519413
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
SMILESCOc1ccc2c(c1)CCC2Nc1ncnc2ccc(C)cc12
InChIInChI=1S/C19H19N3O/c1-12-3-7-17-16(9-12)19(21-11-20-17)22-18-8-4-13-10-14(23-2)5-6-15(13)18/h3,5-7,9-11,18H,4,8H2,1-2H3,(H,20,21,22)
InChIKeyAOUTZAPHPSXFLT-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
CID 90446551
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
CID 91256462
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
6-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinazolin-4-amine
CID 136524272
5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165086739
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine?
The IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine (CID 123519413) is N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine?
The canonical SMILES for N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine is COc1ccc2c(c1)CCC2Nc1ncnc2ccc(C)cc12.
What is the InChIKey of N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine?
The InChIKey is AOUTZAPHPSXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-3-7-17-16(9-12)19(21-11-20-17)22-18-8-4-13-10-14(23-2)5-6-15(13)18/h3,5-7,9-11,18H,4,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine?
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 4.05, 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-1-yl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 123519413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).