N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C16H17N3O2 — CID 134158215

IUPACN-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccncc1NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-21-15-8-9-17-11-13(15)18-16(20)19-10-4-6-12-5-2-3-7-14(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,20)
InChIKeyCYLVFTUSCYGOSV-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.07
Rot. Bonds2

About N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 134158215) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID134158215
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccncc1NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-21-15-8-9-17-11-13(15)18-16(20)19-10-4-6-12-5-2-3-7-14(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,20)
InChIKeyCYLVFTUSCYGOSV-UHFFFAOYSA-N
XLogP3.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 134158215) is N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide is COc1ccncc1NC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is CYLVFTUSCYGOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-8-9-17-11-13(15)18-16(20)19-10-4-6-12-5-2-3-7-14(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-pyridinyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 134158215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).