8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine

C21H22N6O — CID 175571129

IUPAC8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(N[C@H](C)c3ncc(C)[nH]3)ncnc12
InChIInChI=1S/C21H22N6O/c1-12-5-6-17(22-9-12)15-7-16-19(18(8-15)28-4)24-11-25-21(16)27-14(3)20-23-10-13(2)26-20/h5-11,14H,1-4H3,(H,23,26)(H,24,25,27)/t14-/m1/s1
InChIKeyGPPNQPPLNUGLDG-CQSZACIVSA-N
MW374.45 g/mol
LogP4.21
Rot. Bonds5

About 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine

8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine (PubChem CID 175571129) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
PubChem CID175571129
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(N[C@H](C)c3ncc(C)[nH]3)ncnc12
InChIInChI=1S/C21H22N6O/c1-12-5-6-17(22-9-12)15-7-16-19(18(8-15)28-4)24-11-25-21(16)27-14(3)20-23-10-13(2)26-20/h5-11,14H,1-4H3,(H,23,26)(H,24,25,27)/t14-/m1/s1
InChIKeyGPPNQPPLNUGLDG-CQSZACIVSA-N
XLogP4.21
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine?
The IUPAC name of 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine (CID 175571129) is 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine?
The canonical SMILES for 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine is COc1cc(-c2ccc(C)cn2)cc2c(N[C@H](C)c3ncc(C)[nH]3)ncnc12.
What is the InChIKey of 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine?
The InChIKey is GPPNQPPLNUGLDG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-5-6-17(22-9-12)15-7-16-19(18(8-15)28-4)24-11-25-21(16)27-14(3)20-23-10-13(2)26-20/h5-11,14H,1-4H3,(H,23,26)(H,24,25,27)/t14-/m1/s1.
What are the key properties of 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine?
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine has a molecular weight of 374.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 175571129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).