7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one

C28H37N5O3 — CID 155284908

IUPAC7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
SMILESCCC1CN(CC(O)C2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(C(C)=O)CC3)ncc21
InChIInChI=1S/C28H37N5O3/c1-3-19-16-33(17-26(35)25-12-20-6-4-5-7-21(20)14-29-25)28(36)23-13-27(30-15-24(19)23)31-22-8-10-32(11-9-22)18(2)34/h4-7,13,15,19,22,25-26,29,35H,3,8-12,14,16-17H2,1-2H3,(H,30,31)
InChIKeyDQYAMPXCFCMQOG-UHFFFAOYSA-N
MW491.64 g/mol
LogP2.53
Rot. Bonds6

About 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one

7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one (PubChem CID 155284908) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
PubChem CID155284908
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
SMILESCCC1CN(CC(O)C2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(C(C)=O)CC3)ncc21
InChIInChI=1S/C28H37N5O3/c1-3-19-16-33(17-26(35)25-12-20-6-4-5-7-21(20)14-29-25)28(36)23-13-27(30-15-24(19)23)31-22-8-10-32(11-9-22)18(2)34/h4-7,13,15,19,22,25-26,29,35H,3,8-12,14,16-17H2,1-2H3,(H,30,31)
InChIKeyDQYAMPXCFCMQOG-UHFFFAOYSA-N
XLogP2.53
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one with MolForge

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Related Compounds

4-ethyl-2-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-7-(piperidin-4-ylamino)-3,4-dihydro-2,6-naphthyridin-1-one
CID 155095275
7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
CID 155298888
(4S)-7-chloro-4-ethyl-2-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
CID 155298890
(4S)-6-bromo-4-ethyl-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydroisoquinolin-1-one
CID 155636486
(4R)-4-ethyl-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-methyl-1,2,4-triazol-3-yl)-3,4-dihydroisoquinolin-1-one
CID 155276687
7-[(1-acetylpiperidin-4-yl)amino]-2-[(5E)-6-(aminomethyl)-5-ethenylocta-5,7-dienyl]-4-ethyl-3,4-dihydro-2,6-naphthyridin-1-one
CID 142589632
1-ethyl-4-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-8-(9-methoxy-3-azaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1,4-benzodiazepin-5-one
CID 169016220
1-ethyl-4-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-8-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)-2,3-dihydro-1,4-benzodiazepin-5-one
CID 166927543
1-ethyl-4-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-8-(2-isocyano-7-azaspiro[3.5]nonane-7-carbonyl)-2,3-dihydro-1,4-benzodiazepin-5-one
CID 169016222
1-ethyl-4-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-8-(2-methoxy-7-azaspiro[3.5]nonane-7-carbonyl)-2,3-dihydro-1,4-benzodiazepin-5-one
CID 166927436
8-(8,8-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-ethyl-4-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
CID 166927187
6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
CID 130406153

Frequently Asked Questions

What is the IUPAC name of 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The IUPAC name of 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one (CID 155284908) is 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The canonical SMILES for 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one is CCC1CN(CC(O)C2Cc3ccccc3CN2)C(=O)c2cc(NC3CCN(C(C)=O)CC3)ncc21.
What is the InChIKey of 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The InChIKey is DQYAMPXCFCMQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-3-19-16-33(17-26(35)25-12-20-6-4-5-7-21(20)14-29-25)28(36)23-13-27(30-15-24(19)23)31-22-8-10-32(11-9-22)18(2)34/h4-7,13,15,19,22,25-26,29,35H,3,8-12,14,16-17H2,1-2H3,(H,30,31).
What are the key properties of 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one has a molecular weight of 491.64 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-acetylpiperidin-4-yl)amino]-4-ethyl-2-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-3,4-dihydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 155284908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).