N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine

C14H14N4 — CID 43691138

IUPACN-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
SMILESCn1cc(CNc2cnc3ccccc3c2)cn1
InChIInChI=1S/C14H14N4/c1-18-10-11(8-17-18)7-15-13-6-12-4-2-3-5-14(12)16-9-13/h2-6,8-10,15H,7H2,1H3
InChIKeyWISHBVSDEBXIHN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine

N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine (PubChem CID 43691138) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
PubChem CID43691138
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
SMILESCn1cc(CNc2cnc3ccccc3c2)cn1
InChIInChI=1S/C14H14N4/c1-18-10-11(8-17-18)7-15-13-6-12-4-2-3-5-14(12)16-9-13/h2-6,8-10,15H,7H2,1H3
InChIKeyWISHBVSDEBXIHN-UHFFFAOYSA-N
XLogP2.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683322
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
N-(quinolin-3-ylmethyl)aniline
CID 12573835
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
1,5-dimethyl-2-phenyl-4-[(quinolin-3-ylamino)methyl]pyrazol-3-one
CID 86791924
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine (CID 43691138) is N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine is Cn1cc(CNc2cnc3ccccc3c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine?
The InChIKey is WISHBVSDEBXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-10-11(8-17-18)7-15-13-6-12-4-2-3-5-14(12)16-9-13/h2-6,8-10,15H,7H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine?
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine is sourced from PubChem (CID 43691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).