N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine

C15H15N3 — CID 79106887

IUPACN-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
SMILESCc1ccc(C)n1Nc1ccnc2ccccc12
InChIInChI=1S/C15H15N3/c1-11-7-8-12(2)18(11)17-15-9-10-16-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyBPWYQJNFQQFSFY-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.53
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine

N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine (PubChem CID 79106887) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
PubChem CID79106887
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
SMILESCc1ccc(C)n1Nc1ccnc2ccccc12
InChIInChI=1S/C15H15N3/c1-11-7-8-12(2)18(11)17-15-9-10-16-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyBPWYQJNFQQFSFY-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrrol-1-yl)cinnolin-4-amine
CID 79106794
N-ethylquinolin-4-amine
CID 15306588
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
iodomethane;4-methylquinoline
CID 161278358
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 103883678
N-pentan-3-ylquinolin-4-amine
CID 61340263
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine (CID 79106887) is N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine is Cc1ccc(C)n1Nc1ccnc2ccccc12.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine?
The InChIKey is BPWYQJNFQQFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-7-8-12(2)18(11)17-15-9-10-16-14-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine?
N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine has a molecular weight of 237.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine is sourced from PubChem (CID 79106887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).