3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine

C22H21N3 — CID 59572846

IUPAC3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
SMILESCc1cnc2c(c1)Cc1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H21N3/c1-15-12-18-13-17-8-5-11-23-21(17)25(22(18)24-14-15)20-10-4-7-16-6-2-3-9-19(16)20/h4-5,7-8,10-12,14H,2-3,6,9,13H2,1H3
InChIKeyYXVJBRSPVIKEDL-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.04
Rot. Bonds1

About 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine

3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine (PubChem CID 59572846) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
PubChem CID59572846
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
SMILESCc1cnc2c(c1)Cc1cccnc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H21N3/c1-15-12-18-13-17-8-5-11-23-21(17)25(22(18)24-14-15)20-10-4-7-16-6-2-3-9-19(16)20/h4-5,7-8,10-12,14H,2-3,6,9,13H2,1H3
InChIKeyYXVJBRSPVIKEDL-UHFFFAOYSA-N
XLogP5.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine (CID 59572846) is 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine is Cc1cnc2c(c1)Cc1cccnc1N2c1cccc2c1CCCC2.
What is the InChIKey of 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The InChIKey is YXVJBRSPVIKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-15-12-18-13-17-8-5-11-23-21(17)25(22(18)24-14-15)20-10-4-7-16-6-2-3-9-19(16)20/h4-5,7-8,10-12,14H,2-3,6,9,13H2,1H3.
What are the key properties of 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine has a molecular weight of 327.43 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-pyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 59572846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).