N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine

C14H14N4O — CID 80701790

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCOc1cccc2ccc(CNc3cn[nH]c3)nc12
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-3-10-5-6-11(18-14(10)13)7-15-12-8-16-17-9-12/h2-6,8-9,15H,7H2,1H3,(H,16,17)
InChIKeyCJIPCPQUDGWYNC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.58
Rot. Bonds4

About N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine

N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 80701790) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
PubChem CID80701790
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCOc1cccc2ccc(CNc3cn[nH]c3)nc12
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-3-10-5-6-11(18-14(10)13)7-15-12-8-16-17-9-12/h2-6,8-9,15H,7H2,1H3,(H,16,17)
InChIKeyCJIPCPQUDGWYNC-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine (CID 80701790) is N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine is COc1cccc2ccc(CNc3cn[nH]c3)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is CJIPCPQUDGWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13-4-2-3-10-5-6-11(18-14(10)13)7-15-12-8-16-17-9-12/h2-6,8-9,15H,7H2,1H3,(H,16,17).
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 80701790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).