N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine

C16H17N3 — CID 66415969

IUPACN-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
SMILESCCn1ccc(CNc2ccc3ncccc3c2)c1
InChIInChI=1S/C16H17N3/c1-2-19-9-7-13(12-19)11-18-15-5-6-16-14(10-15)4-3-8-17-16/h3-10,12,18H,2,11H2,1H3
InChIKeyJQKNJOAQHBBAEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.67
Rot. Bonds4

About N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine

N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine (PubChem CID 66415969) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
PubChem CID66415969
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
SMILESCCn1ccc(CNc2ccc3ncccc3c2)c1
InChIInChI=1S/C16H17N3/c1-2-19-9-7-13(12-19)11-18-15-5-6-16-14(10-15)4-3-8-17-16/h3-10,12,18H,2,11H2,1H3
InChIKeyJQKNJOAQHBBAEP-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoro-4-methylaniline
CID 66400274
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine (CID 66415969) is N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine is CCn1ccc(CNc2ccc3ncccc3c2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine?
The InChIKey is JQKNJOAQHBBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-19-9-7-13(12-19)11-18-15-5-6-16-14(10-15)4-3-8-17-16/h3-10,12,18H,2,11H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine?
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine is sourced from PubChem (CID 66415969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).