N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine

C20H16N4 — CID 71179866

IUPACN-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
SMILESCNc1nc(-c2cccnc2)cc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H16N4/c1-21-20-18-10-14(16-4-2-8-22-12-16)6-7-15(18)11-19(24-20)17-5-3-9-23-13-17/h2-13H,1H3,(H,21,24)
InChIKeyKWXTWJXSLXSFPV-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.40
Rot. Bonds3

About N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine

N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine (PubChem CID 71179866) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
PubChem CID71179866
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
SMILESCNc1nc(-c2cccnc2)cc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H16N4/c1-21-20-18-10-14(16-4-2-8-22-12-16)6-7-15(18)11-19(24-20)17-5-3-9-23-13-17/h2-13H,1H3,(H,21,24)
InChIKeyKWXTWJXSLXSFPV-UHFFFAOYSA-N
XLogP4.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
3-ethenyl-N-methyl-6-pyridin-3-ylpyridin-2-amine
CID 156715367
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine?
The IUPAC name of N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine (CID 71179866) is N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine.
What is the SMILES notation for N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine?
The canonical SMILES for N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine is CNc1nc(-c2cccnc2)cc2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine?
The InChIKey is KWXTWJXSLXSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-21-20-18-10-14(16-4-2-8-22-12-16)6-7-15(18)11-19(24-20)17-5-3-9-23-13-17/h2-13H,1H3,(H,21,24).
What are the key properties of N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine?
N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine has a molecular weight of 312.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine is sourced from PubChem (CID 71179866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).