6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one

C24H30N4O3 — CID 155425634

IUPAC6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1Cc2ncc(NC3COC3)cc2C(=O)N1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H30N4O3/c1-16-8-23-22(9-19(10-25-23)26-20-14-31-15-20)24(30)28(16)13-21(29)12-27-7-6-17-4-2-3-5-18(17)11-27/h2-5,9-10,16,20-21,26,29H,6-8,11-15H2,1H3
InChIKeyKFTQHKVPJAYBMN-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.70
Rot. Bonds6

About 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one

6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 155425634) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID155425634
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1Cc2ncc(NC3COC3)cc2C(=O)N1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H30N4O3/c1-16-8-23-22(9-19(10-25-23)26-20-14-31-15-20)24(30)28(16)13-21(29)12-27-7-6-17-4-2-3-5-18(17)11-27/h2-5,9-10,16,20-21,26,29H,6-8,11-15H2,1H3
InChIKeyKFTQHKVPJAYBMN-UHFFFAOYSA-N
XLogP1.70
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

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Related Compounds

2-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-[[(3S)-oxolan-3-yl]amino]-3,4-dihydroisoquinolin-1-one
CID 139467710
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 90241674
8-(cyclopropylamino)-4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 156755852
2-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-[(1-methylpyrazol-4-yl)amino]-3,4-dihydroisoquinolin-1-one
CID 139468047
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118553812
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-[(6-ethylspiro[3.3]heptan-2-yl)amino]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 139483847
7-[(1-acetylpiperidin-4-yl)amino]-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-9-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 139468015
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 123895356
4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-[(1-methylpyrazol-4-yl)amino]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 155410540
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-(methylamino)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 139483825
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-2-[[(3S)-oxolan-3-yl]amino]pyridine-4-carboxamide
CID 139297146
2-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3H-isoindol-1-one
CID 90307279

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one (CID 155425634) is 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one is CC1Cc2ncc(NC3COC3)cc2C(=O)N1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is KFTQHKVPJAYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-8-23-22(9-19(10-25-23)26-20-14-31-15-20)24(30)28(16)13-21(29)12-27-7-6-17-4-2-3-5-18(17)11-27/h2-5,9-10,16,20-21,26,29H,6-8,11-15H2,1H3.
What are the key properties of 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one?
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 422.53 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methyl-3-(oxetan-3-ylamino)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 155425634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).