N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine

C15H14N4 — CID 106936812

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
SMILESC=Cn1cc(CNc2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H14N4/c1-2-19-11-12(10-18-19)9-17-14-5-6-15-13(8-14)4-3-7-16-15/h2-8,10-11,17H,1,9H2
InChIKeyOORUOXVBSOYKPB-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.14
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine

N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine (PubChem CID 106936812) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
PubChem CID106936812
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
SMILESC=Cn1cc(CNc2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H14N4/c1-2-19-11-12(10-18-19)9-17-14-5-6-15-13(8-14)4-3-7-16-15/h2-8,10-11,17H,1,9H2
InChIKeyOORUOXVBSOYKPB-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 106936467
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
CID 106935180
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
2-[3-[(1-ethenylpyrazol-4-yl)methylamino]phenoxy]acetonitrile
CID 106936147
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 106935292
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine (CID 106936812) is N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine is C=Cn1cc(CNc2ccc3ncccc3c2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine?
The InChIKey is OORUOXVBSOYKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-19-11-12(10-18-19)9-17-14-5-6-15-13(8-14)4-3-7-16-15/h2-8,10-11,17H,1,9H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine has a molecular weight of 250.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine is sourced from PubChem (CID 106936812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).