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

C21H23N5O2 — CID 165381188

IUPAC2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCCC4=O)ncc12
InChIInChI=1S/C21H23N5O2/c1-21(2,22)15-11-24-20(28-3)14-10-23-19(9-13(14)15)26-18-8-7-12-16(25-18)5-4-6-17(12)27/h7-11H,4-6,22H2,1-3H3,(H,23,25,26)
InChIKeyCSELSSWXWHYYQH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.49
Rot. Bonds4

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

2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 165381188) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
PubChem CID165381188
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCCC4=O)ncc12
InChIInChI=1S/C21H23N5O2/c1-21(2,22)15-11-24-20(28-3)14-10-23-19(9-13(14)15)26-18-8-7-12-16(25-18)5-4-6-17(12)27/h7-11H,4-6,22H2,1-3H3,(H,23,25,26)
InChIKeyCSELSSWXWHYYQH-UHFFFAOYSA-N
XLogP3.49
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one with MolForge

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Related Compounds

2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
CID 165380864
2-[[5-(2-aminopropan-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]methyl]-7,8-dihydro-6H-quinolin-5-one
CID 167596045
(8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381191
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380848
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
3-methoxy-N-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-1,2-thiazole-4-sulfonamide
CID 167807803
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-methyloxetan-3-yl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166506465
2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484245
2-[[5-(1-amino-1-cyclopropylethyl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 167261640
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 165381212
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380904
(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117445

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one (CID 165381188) is 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one is COc1ncc(C(C)(C)N)c2cc(Nc3ccc4c(n3)CCCC4=O)ncc12.
What is the InChIKey of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is CSELSSWXWHYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(2,22)15-11-24-20(28-3)14-10-23-19(9-13(14)15)26-18-8-7-12-16(25-18)5-4-6-17(12)27/h7-11H,4-6,22H2,1-3H3,(H,23,25,26).
What are the key properties of 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one?
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 377.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 165381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).