1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine

C14H18N2 — CID 13405504

IUPAC1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine
SMILESCc1cc2cc(C(C)C)nc(C)c2c(C)n1
InChIInChI=1S/C14H18N2/c1-8(2)13-7-12-6-9(3)15-10(4)14(12)11(5)16-13/h6-8H,1-5H3
InChIKeyIPBJPAGQWSWHDN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine

1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine (PubChem CID 13405504) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine
PubChem CID13405504
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine
SMILESCc1cc2cc(C(C)C)nc(C)c2c(C)n1
InChIInChI=1S/C14H18N2/c1-8(2)13-7-12-6-9(3)15-10(4)14(12)11(5)16-13/h6-8H,1-5H3
InChIKeyIPBJPAGQWSWHDN-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine (CID 13405504) is 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine is Cc1cc2cc(C(C)C)nc(C)c2c(C)n1.
What is the InChIKey of 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine?
The InChIKey is IPBJPAGQWSWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-8(2)13-7-12-6-9(3)15-10(4)14(12)11(5)16-13/h6-8H,1-5H3.
What are the key properties of 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine?
1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-6-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 13405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).