N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide

C16H19N3O — CID 100627820

IUPACN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyGWCWCVALPCNHBW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.06
Rot. Bonds3

About N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide

N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide (PubChem CID 100627820) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
PubChem CID100627820
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyGWCWCVALPCNHBW-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide (CID 100627820) is N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide is CC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The InChIKey is GWCWCVALPCNHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 100627820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).