2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one

C22H25N5O — CID 167596045

IUPAC2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one
SMILESCNc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)CCCC4=O)ncc12
InChIInChI=1S/C22H25N5O/c1-22(2,23)18-12-26-21(24-3)17-11-25-14(10-16(17)18)9-13-7-8-15-19(27-13)5-4-6-20(15)28/h7-8,10-12H,4-6,9,23H2,1-3H3,(H,24,26)
InChIKeyJBSKCOGARZNHMO-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.37
Rot. Bonds4

About 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one

2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 167596045) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID167596045
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one
SMILESCNc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)CCCC4=O)ncc12
InChIInChI=1S/C22H25N5O/c1-22(2,23)18-12-26-21(24-3)17-11-25-14(10-16(17)18)9-13-7-8-15-19(27-13)5-4-6-20(15)28/h7-8,10-12H,4-6,9,23H2,1-3H3,(H,24,26)
InChIKeyJBSKCOGARZNHMO-UHFFFAOYSA-N
XLogP3.37
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one (CID 167596045) is 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one is CNc1ncc(C(C)(C)N)c2cc(Cc3ccc4c(n3)CCCC4=O)ncc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is JBSKCOGARZNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2,23)18-12-26-21(24-3)17-11-25-14(10-16(17)18)9-13-7-8-15-19(27-13)5-4-6-20(15)28/h7-8,10-12H,4-6,9,23H2,1-3H3,(H,24,26).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 375.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 167596045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).