(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione

C17H20N2O3 — CID 175751285

IUPAC(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione
SMILESCOc1cc2c(n(C)c1=O)-c1cc(=O)ccn1[C@H](C(C)C)C2
InChIInChI=1S/C17H20N2O3/c1-10(2)13-7-11-8-15(22-4)17(21)18(3)16(11)14-9-12(20)5-6-19(13)14/h5-6,8-10,13H,7H2,1-4H3/t13-/m0/s1
InChIKeyWYPLLVCDLCUJGK-ZDUSSCGKSA-N
MW300.36 g/mol
LogP1.98
Rot. Bonds2

About (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione

(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione (PubChem CID 175751285) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione.

Molecular Properties

Compound Name(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione
PubChem CID175751285
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione
SMILESCOc1cc2c(n(C)c1=O)-c1cc(=O)ccn1[C@H](C(C)C)C2
InChIInChI=1S/C17H20N2O3/c1-10(2)13-7-11-8-15(22-4)17(21)18(3)16(11)14-9-12(20)5-6-19(13)14/h5-6,8-10,13H,7H2,1-4H3/t13-/m0/s1
InChIKeyWYPLLVCDLCUJGK-ZDUSSCGKSA-N
XLogP1.98
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione?
The IUPAC name of (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione (CID 175751285) is (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione.
What is the SMILES notation for (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione?
The canonical SMILES for (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione is COc1cc2c(n(C)c1=O)-c1cc(=O)ccn1[C@H](C(C)C)C2.
What is the InChIKey of (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione?
The InChIKey is WYPLLVCDLCUJGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10(2)13-7-11-8-15(22-4)17(21)18(3)16(11)14-9-12(20)5-6-19(13)14/h5-6,8-10,13H,7H2,1-4H3/t13-/m0/s1.
What are the key properties of (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione?
(6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione has a molecular weight of 300.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methoxy-1-methyl-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-2,10-dione is sourced from PubChem (CID 175751285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).