N-(isoquinolin-4-ylmethyl)quinolin-4-amine

C19H15N3 — CID 174877636

IUPACN-(isoquinolin-4-ylmethyl)quinolin-4-amine
SMILESc1ccc2c(CNc3ccnc4ccccc34)cncc2c1
InChIInChI=1S/C19H15N3/c1-2-6-16-14(5-1)11-20-12-15(16)13-22-19-9-10-21-18-8-4-3-7-17(18)19/h1-12H,13H2,(H,21,22)
InChIKeyRIMMIXZIWAHQNR-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds3

About N-(isoquinolin-4-ylmethyl)quinolin-4-amine

N-(isoquinolin-4-ylmethyl)quinolin-4-amine (PubChem CID 174877636) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)quinolin-4-amine
PubChem CID174877636
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC NameN-(isoquinolin-4-ylmethyl)quinolin-4-amine
SMILESc1ccc2c(CNc3ccnc4ccccc34)cncc2c1
InChIInChI=1S/C19H15N3/c1-2-6-16-14(5-1)11-20-12-15(16)13-22-19-9-10-21-18-8-4-3-7-17(18)19/h1-12H,13H2,(H,21,22)
InChIKeyRIMMIXZIWAHQNR-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
4-bromo-2-chloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503841
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376
N-ethylquinolin-4-amine
CID 15306588
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
3-bromo-4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 104503865
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
5-bromo-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884055
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)quinolin-4-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)quinolin-4-amine (CID 174877636) is N-(isoquinolin-4-ylmethyl)quinolin-4-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)quinolin-4-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)quinolin-4-amine is c1ccc2c(CNc3ccnc4ccccc34)cncc2c1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)quinolin-4-amine?
The InChIKey is RIMMIXZIWAHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-6-16-14(5-1)11-20-12-15(16)13-22-19-9-10-21-18-8-4-3-7-17(18)19/h1-12H,13H2,(H,21,22).
What are the key properties of N-(isoquinolin-4-ylmethyl)quinolin-4-amine?
N-(isoquinolin-4-ylmethyl)quinolin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 174877636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).