methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate

C22H21N3O3 — CID 166232224

IUPACmethyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C1CC1
InChIInChI=1S/C22H21N3O3/c1-28-21(26)13-19(14-9-10-14)25-22(27)16-12-20(18-8-4-5-11-23-18)24-17-7-3-2-6-15(16)17/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,25,27)
InChIKeyCMTOWRUDEBYRBK-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.37
Rot. Bonds6

About methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate

methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate (PubChem CID 166232224) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
PubChem CID166232224
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C1CC1
InChIInChI=1S/C22H21N3O3/c1-28-21(26)13-19(14-9-10-14)25-22(27)16-12-20(18-8-4-5-11-23-18)24-17-7-3-2-6-15(16)17/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,25,27)
InChIKeyCMTOWRUDEBYRBK-UHFFFAOYSA-N
XLogP3.37
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
methyl 3-cyclopropyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 71858602
methyl (3R)-3-cyclopropyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 97030150
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
CID 2381674

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate (CID 166232224) is methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is CMTOWRUDEBYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-21(26)13-19(14-9-10-14)25-22(27)16-12-20(18-8-4-5-11-23-18)24-17-7-3-2-6-15(16)17/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,25,27).
What are the key properties of methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 375.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 166232224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).