[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride

C23H25Cl2N3O — CID 120749391

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCC3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H23N3O.2ClH/c24-19-14-26(13-18(19)15-7-2-1-3-8-15)23(27)22-16-9-4-5-11-20(16)25-21-12-6-10-17(21)22;;/h1-5,7-9,11,18-19H,6,10,12-14,24H2;2*1H/t18-,19+;;/m0../s1
InChIKeyHJVVISPIMFDKCF-DPSPSOFVSA-N
MW430.38 g/mol
LogP4.13
Rot. Bonds2

About [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride (PubChem CID 120749391) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride
PubChem CID120749391
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride
SMILESCl.Cl.N[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCC3)C[C@H]1c1ccccc1
InChIInChI=1S/C23H23N3O.2ClH/c24-19-14-26(13-18(19)15-7-2-1-3-8-15)23(27)22-16-9-4-5-11-20(16)25-21-12-6-10-17(21)22;;/h1-5,7-9,11,18-19H,6,10,12-14,24H2;2*1H/t18-,19+;;/m0../s1
InChIKeyHJVVISPIMFDKCF-DPSPSOFVSA-N
XLogP4.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl-(2-methylmorpholin-4-yl)methanone
CID 42929324
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 120747193
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55735652
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585241
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120746910
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-chloro-4-methylphenyl)methanone;hydrochloride
CID 120749127

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride (CID 120749391) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride is Cl.Cl.N[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCC3)C[C@H]1c1ccccc1.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride?
The InChIKey is HJVVISPIMFDKCF-DPSPSOFVSA-N. The full InChI is InChI=1S/C23H23N3O.2ClH/c24-19-14-26(13-18(19)15-7-2-1-3-8-15)23(27)22-16-9-4-5-11-20(16)25-21-12-6-10-17(21)22;;/h1-5,7-9,11,18-19H,6,10,12-14,24H2;2*1H/t18-,19+;;/m0../s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride is sourced from PubChem (CID 120749391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).