sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate

C24H24N3NaO2 — CID 59368767

IUPACsodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate
SMILESO=C([O-])CCc1ccc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)nc1.[Na+]
InChIInChI=1S/C24H25N3O2.Na/c28-24(29)13-10-18-9-12-23(25-16-18)26-17-19-8-11-20-5-4-14-27(22(20)15-19)21-6-2-1-3-7-21;/h1-3,6-9,11-12,15-16H,4-5,10,13-14,17H2,(H,25,26)(H,28,29);/q;+1/p-1
InChIKeyZBYBVSSPFVKXMD-UHFFFAOYSA-M
MW409.47 g/mol
LogP0.46
Rot. Bonds7

About sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate

sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate (PubChem CID 59368767) has the molecular formula C24H24N3NaO2 and a molecular weight of 409.47 g/mol. Its IUPAC name is sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate.

Molecular Properties

Compound Namesodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate
PubChem CID59368767
Molecular FormulaC24H24N3NaO2
Molecular Weight409.47 g/mol
Exact Mass409.18
IUPAC Namesodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate
SMILESO=C([O-])CCc1ccc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)nc1.[Na+]
InChIInChI=1S/C24H25N3O2.Na/c28-24(29)13-10-18-9-12-23(25-16-18)26-17-19-8-11-20-5-4-14-27(22(20)15-19)21-6-2-1-3-7-21;/h1-3,6-9,11-12,15-16H,4-5,10,13-14,17H2,(H,25,26)(H,28,29);/q;+1/p-1
InChIKeyZBYBVSSPFVKXMD-UHFFFAOYSA-M
XLogP0.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate with MolForge

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Related Compounds

3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal
CID 89062883
[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109157414
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
CID 141205583
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethylpyridin-2-amine
CID 62182330
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
formic acid;8-[(1-phenyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene
CID 144962497
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
N-[[6-(benzylamino)-3-pyridinyl]methyl]-7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;butanedioic acid
CID 66707395
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037

Frequently Asked Questions

What is the IUPAC name of sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate?
The IUPAC name of sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate (CID 59368767) is sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate.
What is the SMILES notation for sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate?
The canonical SMILES for sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate is O=C([O-])CCc1ccc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)nc1.[Na+].
What is the InChIKey of sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate?
The InChIKey is ZBYBVSSPFVKXMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25N3O2.Na/c28-24(29)13-10-18-9-12-23(25-16-18)26-17-19-8-11-20-5-4-14-27(22(20)15-19)21-6-2-1-3-7-21;/h1-3,6-9,11-12,15-16H,4-5,10,13-14,17H2,(H,25,26)(H,28,29);/q;+1/p-1.
What are the key properties of sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate?
sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate has a molecular weight of 409.47 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate is sourced from PubChem (CID 59368767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).