(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone

C23H29N3O2 — CID 156609624

IUPAC(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone
SMILESCN(C)c1ccccc1-c1ccc(C(=O)N2CCC3(O)CCNCC3C2)cc1
InChIInChI=1S/C23H29N3O2/c1-25(2)21-6-4-3-5-20(21)17-7-9-18(10-8-17)22(27)26-14-12-23(28)11-13-24-15-19(23)16-26/h3-10,19,24,28H,11-16H2,1-2H3
InChIKeyQAQSYUWIELTIMQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.61
Rot. Bonds3

About (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone (PubChem CID 156609624) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone
PubChem CID156609624
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone
SMILESCN(C)c1ccccc1-c1ccc(C(=O)N2CCC3(O)CCNCC3C2)cc1
InChIInChI=1S/C23H29N3O2/c1-25(2)21-6-4-3-5-20(21)17-7-9-18(10-8-17)22(27)26-14-12-23(28)11-13-24-15-19(23)16-26/h3-10,19,24,28H,11-16H2,1-2H3
InChIKeyQAQSYUWIELTIMQ-UHFFFAOYSA-N
XLogP2.61
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-carbonyl]phenyl]-2-fluorobenzonitrile;hydrochloride
CID 154906155
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-[3-(3-fluorophenyl)phenyl]methanone
CID 72850012
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-[3-(3-fluoro-2-pyridinyl)phenyl]methanone;hydrochloride
CID 154903974
[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 170503162
(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide
CID 124896412
[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-bromophenyl)methanone
CID 7012089
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72923333
1-[3-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-3-oxopropyl]pyrrolidin-2-one
CID 133131299
(4aS,8aS)-7-isoquinolin-1-yl-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72930864
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-nitrophenyl)methanone
CID 1423910
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-nitrophenyl)methanone
CID 3624321

Frequently Asked Questions

What is the IUPAC name of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone?
The IUPAC name of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone (CID 156609624) is (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone.
What is the SMILES notation for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone?
The canonical SMILES for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone is CN(C)c1ccccc1-c1ccc(C(=O)N2CCC3(O)CCNCC3C2)cc1.
What is the InChIKey of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone?
The InChIKey is QAQSYUWIELTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(2)21-6-4-3-5-20(21)17-7-9-18(10-8-17)22(27)26-14-12-23(28)11-13-24-15-19(23)16-26/h3-10,19,24,28H,11-16H2,1-2H3.
What are the key properties of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone?
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone has a molecular weight of 379.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone is sourced from PubChem (CID 156609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).