[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone

C23H23N3O3 — CID 42432948

IUPAC[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccco1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C23H23N3O3/c27-22(17-7-8-19-16(14-17)4-1-10-24-19)26-11-2-5-18-15-25(12-9-20(18)26)23(28)21-6-3-13-29-21/h1,3-4,6-8,10,13-14,18,20H,2,5,9,11-12,15H2/t18-,20+/m1/s1
InChIKeyAFCIGUJQKVPULI-QUCCMNQESA-N
MW389.45 g/mol
LogP3.59
Rot. Bonds2

About [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone

[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone (PubChem CID 42432948) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone
PubChem CID42432948
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccco1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C23H23N3O3/c27-22(17-7-8-19-16(14-17)4-1-10-24-19)26-11-2-5-18-15-25(12-9-20(18)26)23(28)21-6-3-13-29-21/h1,3-4,6-8,10,13-14,18,20H,2,5,9,11-12,15H2/t18-,20+/m1/s1
InChIKeyAFCIGUJQKVPULI-QUCCMNQESA-N
XLogP3.59
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone with MolForge

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Related Compounds

furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
[(4aR,8aS)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(furan-2-yl)methanone
CID 42541930
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
1-[(5aR,9aS)-8-(quinoline-6-carbonyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97403439
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[(4aR,7aR)-1-(pyridin-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(furan-2-yl)methanone
CID 97377284
[(4aR,8aS)-1-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(furan-2-yl)methanone
CID 118754330
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone (CID 42432948) is [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone is O=C(c1ccco1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is AFCIGUJQKVPULI-QUCCMNQESA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(17-7-8-19-16(14-17)4-1-10-24-19)26-11-2-5-18-15-25(12-9-20(18)26)23(28)21-6-3-13-29-21/h1,3-4,6-8,10,13-14,18,20H,2,5,9,11-12,15H2/t18-,20+/m1/s1.
What are the key properties of [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone?
[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 389.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 42432948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).