(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

C24H23N3O — CID 25453502

IUPAC(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
SMILESO=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccc4cccnc34)N3CCC[C@@]123
InChIInChI=1S/C24H23N3O/c28-23-24-12-6-14-27(24)21(20-11-4-7-17-8-5-13-25-22(17)20)15-18(24)16-26(23)19-9-2-1-3-10-19/h1-5,7-11,13,18,21H,6,12,14-16H2/t18-,21-,24-/m0/s1
InChIKeyBUDMBTAMPZEXKH-XZOYJPPVSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds2

About (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one (PubChem CID 25453502) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one.

Molecular Properties

Compound Name(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
PubChem CID25453502
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
SMILESO=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccc4cccnc34)N3CCC[C@@]123
InChIInChI=1S/C24H23N3O/c28-23-24-12-6-14-27(24)21(20-11-4-7-17-8-5-13-25-22(17)20)15-18(24)16-26(23)19-9-2-1-3-10-19/h1-5,7-11,13,18,21H,6,12,14-16H2/t18-,21-,24-/m0/s1
InChIKeyBUDMBTAMPZEXKH-XZOYJPPVSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S,7S)-3-(2-methoxyphenyl)-7-(1-pyridin-2-ylpyrrol-2-yl)-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 56856015
(1S,5S,7S)-3-[(3-chlorophenyl)methyl]-7-quinolin-6-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 45209803
8-(1-hydroxypiperidin-2-yl)quinoline
CID 54346062
2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one
CID 102141630
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
8-cyclopropylquinoline
CID 66823369
(1S,5S,7S)-7-(3-fluorophenyl)-3-[(2-methylphenyl)methyl]-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 25310407
(1S,5S,7S)-3-[(3-methoxyphenyl)methyl]-7-(5-methyl-1H-pyrazol-3-yl)-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 42592301
(1S,5S,7S)-7-[2-(dimethylamino)-1,3-thiazol-5-yl]-3-[(2-methylphenyl)methyl]-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 42462871
2-quinolin-8-ylcyclohexan-1-amine
CID 81224075
(1S,5S,7S)-7-(5-methylfuran-2-yl)-3-[(2-methylphenyl)methyl]-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 25295332
(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
CID 73426764

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The IUPAC name of (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one (CID 25453502) is (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one.
What is the SMILES notation for (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The canonical SMILES for (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one is O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccc4cccnc34)N3CCC[C@@]123.
What is the InChIKey of (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
The InChIKey is BUDMBTAMPZEXKH-XZOYJPPVSA-N. The full InChI is InChI=1S/C24H23N3O/c28-23-24-12-6-14-27(24)21(20-11-4-7-17-8-5-13-25-22(17)20)15-18(24)16-26(23)19-9-2-1-3-10-19/h1-5,7-11,13,18,21H,6,12,14-16H2/t18-,21-,24-/m0/s1.
What are the key properties of (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one?
(1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one has a molecular weight of 369.47 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7S)-3-phenyl-7-quinolin-8-yl-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one is sourced from PubChem (CID 25453502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).