N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine

C21H22N6O — CID 155354079

IUPACN-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(CNCc3ccn(C)n3)ncnc12
InChIInChI=1S/C21H22N6O/c1-14-4-5-18(23-10-14)15-8-17-19(12-22-11-16-6-7-27(2)26-16)24-13-25-21(17)20(9-15)28-3/h4-10,13,22H,11-12H2,1-3H3
InChIKeyDGYUTZLDOBSUCQ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.03
Rot. Bonds6

About N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 155354079) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID155354079
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCOc1cc(-c2ccc(C)cn2)cc2c(CNCc3ccn(C)n3)ncnc12
InChIInChI=1S/C21H22N6O/c1-14-4-5-18(23-10-14)15-8-17-19(12-22-11-16-6-7-27(2)26-16)24-13-25-21(17)20(9-15)28-3/h4-10,13,22H,11-12H2,1-3H3
InChIKeyDGYUTZLDOBSUCQ-UHFFFAOYSA-N
XLogP3.03
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine with MolForge

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Related Compounds

2-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]oxymethoxy]ethyl-trimethylsilane
CID 167419750
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82872962
N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
CID 155728729
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78943295
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623019
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
2-methoxy-5-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 115320187
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961

Frequently Asked Questions

What is the IUPAC name of N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 155354079) is N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine is COc1cc(-c2ccc(C)cn2)cc2c(CNCc3ccn(C)n3)ncnc12.
What is the InChIKey of N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is DGYUTZLDOBSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-4-5-18(23-10-14)15-8-17-19(12-22-11-16-6-7-27(2)26-16)24-13-25-21(17)20(9-15)28-3/h4-10,13,22H,11-12H2,1-3H3.
What are the key properties of N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 374.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 155354079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).