N-isoquinolin-6-ylquinolin-5-amine

C18H13N3 — CID 164533991

IUPACN-isoquinolin-6-ylquinolin-5-amine
SMILESc1cc(Nc2ccc3cnccc3c2)c2cccnc2c1
InChIInChI=1S/C18H13N3/c1-4-17-16(3-2-9-20-17)18(5-1)21-15-7-6-14-12-19-10-8-13(14)11-15/h1-12,21H
InChIKeyFROXBFXUOCONKH-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.53
Rot. Bonds2

About N-isoquinolin-6-ylquinolin-5-amine

N-isoquinolin-6-ylquinolin-5-amine (PubChem CID 164533991) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-isoquinolin-6-ylquinolin-5-amine.

Molecular Properties

Compound NameN-isoquinolin-6-ylquinolin-5-amine
PubChem CID164533991
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC NameN-isoquinolin-6-ylquinolin-5-amine
SMILESc1cc(Nc2ccc3cnccc3c2)c2cccnc2c1
InChIInChI=1S/C18H13N3/c1-4-17-16(3-2-9-20-17)18(5-1)21-15-7-6-14-12-19-10-8-13(14)11-15/h1-12,21H
InChIKeyFROXBFXUOCONKH-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylisoquinoline;5-methylquinoline
CID 154664232
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
CID 102623783
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
5-(quinolin-5-ylamino)pyridine-2-carbothioamide
CID 115488091
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
N-pyridin-2-ylquinolin-5-amine
CID 163837098
N-(4-phenoxyphenyl)quinolin-4-amine
CID 44585573
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 143348114
6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-ylquinolin-5-amine?
The IUPAC name of N-isoquinolin-6-ylquinolin-5-amine (CID 164533991) is N-isoquinolin-6-ylquinolin-5-amine.
What is the SMILES notation for N-isoquinolin-6-ylquinolin-5-amine?
The canonical SMILES for N-isoquinolin-6-ylquinolin-5-amine is c1cc(Nc2ccc3cnccc3c2)c2cccnc2c1.
What is the InChIKey of N-isoquinolin-6-ylquinolin-5-amine?
The InChIKey is FROXBFXUOCONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-4-17-16(3-2-9-20-17)18(5-1)21-15-7-6-14-12-19-10-8-13(14)11-15/h1-12,21H.
What are the key properties of N-isoquinolin-6-ylquinolin-5-amine?
N-isoquinolin-6-ylquinolin-5-amine has a molecular weight of 271.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-ylquinolin-5-amine is sourced from PubChem (CID 164533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).