6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine

C18H19N5 — CID 140921698

IUPAC6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine
SMILESCc1c(-c2cc(N)c3cnc(N)cc3c2)cnc2c1NCCC2
InChIInChI=1S/C18H19N5/c1-10-13(8-22-16-3-2-4-21-18(10)16)11-5-12-7-17(20)23-9-14(12)15(19)6-11/h5-9,21H,2-4,19H2,1H3,(H2,20,23)
InChIKeyLKPFGXMJZTWLME-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.13
Rot. Bonds1

About 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine

6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine (PubChem CID 140921698) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine.

Molecular Properties

Compound Name6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine
PubChem CID140921698
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine
SMILESCc1c(-c2cc(N)c3cnc(N)cc3c2)cnc2c1NCCC2
InChIInChI=1S/C18H19N5/c1-10-13(8-22-16-3-2-4-21-18(10)16)11-5-12-7-17(20)23-9-14(12)15(19)6-11/h5-9,21H,2-4,19H2,1H3,(H2,20,23)
InChIKeyLKPFGXMJZTWLME-UHFFFAOYSA-N
XLogP3.13
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine?
The IUPAC name of 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine (CID 140921698) is 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine.
What is the SMILES notation for 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine?
The canonical SMILES for 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine is Cc1c(-c2cc(N)c3cnc(N)cc3c2)cnc2c1NCCC2.
What is the InChIKey of 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine?
The InChIKey is LKPFGXMJZTWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-10-13(8-22-16-3-2-4-21-18(10)16)11-5-12-7-17(20)23-9-14(12)15(19)6-11/h5-9,21H,2-4,19H2,1H3,(H2,20,23).
What are the key properties of 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine?
6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine has a molecular weight of 305.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinoline-3,8-diamine is sourced from PubChem (CID 140921698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).