N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine

C18H17N3 — CID 80548139

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
SMILESc1cc2c(c(Nc3ccnc4ccccc34)c1)CCNC2
InChIInChI=1S/C18H17N3/c1-2-6-16-15(5-1)18(9-11-20-16)21-17-7-3-4-13-12-19-10-8-14(13)17/h1-7,9,11,19H,8,10,12H2,(H,20,21)
InChIKeyHYCHQXBKCUIDRI-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.62
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine (PubChem CID 80548139) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
PubChem CID80548139
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
SMILESc1cc2c(c(Nc3ccnc4ccccc34)c1)CCNC2
InChIInChI=1S/C18H17N3/c1-2-6-16-15(5-1)18(9-11-20-16)21-17-7-3-4-13-12-19-10-8-14(13)17/h1-7,9,11,19H,8,10,12H2,(H,20,21)
InChIKeyHYCHQXBKCUIDRI-UHFFFAOYSA-N
XLogP3.62
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548130
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-benzoxazol-2-amine
CID 80547949
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554705
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 114401771
N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 106876196
N-(3-nitro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548135
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
CID 80554473
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 80554704
N-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548233
5-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)-1H-pyrimidin-6-one
CID 136978814
N-(4-piperidin-4-ylphenyl)quinolin-4-amine
CID 171544473

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine (CID 80548139) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine is c1cc2c(c(Nc3ccnc4ccccc34)c1)CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine?
The InChIKey is HYCHQXBKCUIDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-6-16-15(5-1)18(9-11-20-16)21-17-7-3-4-13-12-19-10-8-14(13)17/h1-7,9,11,19H,8,10,12H2,(H,20,21).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine is sourced from PubChem (CID 80548139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).