N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide

C19H25N3O — CID 167327527

IUPACN-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCC2CNC2)c2nccc(C(C)C)c2c1
InChIInChI=1S/C19H25N3O/c1-4-13-7-16-15(12(2)3)5-6-21-18(16)17(8-13)19(23)22-11-14-9-20-10-14/h5-8,12,14,20H,4,9-11H2,1-3H3,(H,22,23)
InChIKeyRECCZABBGNFFCJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.87
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide

N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide (PubChem CID 167327527) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide
PubChem CID167327527
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCC2CNC2)c2nccc(C(C)C)c2c1
InChIInChI=1S/C19H25N3O/c1-4-13-7-16-15(12(2)3)5-6-21-18(16)17(8-13)19(23)22-11-14-9-20-10-14/h5-8,12,14,20H,4,9-11H2,1-3H3,(H,22,23)
InChIKeyRECCZABBGNFFCJ-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
CID 175792257
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
1-(azetidin-3-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 115207473
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
N-(piperidin-3-ylmethyl)quinoxaline-5-carboxamide
CID 104615453
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
5-amino-6-fluoro-N-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]quinoline-8-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 161140500
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide (CID 167327527) is N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide is CCc1cc(C(=O)NCC2CNC2)c2nccc(C(C)C)c2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide?
The InChIKey is RECCZABBGNFFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-13-7-16-15(12(2)3)5-6-21-18(16)17(8-13)19(23)22-11-14-9-20-10-14/h5-8,12,14,20H,4,9-11H2,1-3H3,(H,22,23).
What are the key properties of N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide?
N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-6-ethyl-4-propan-2-ylquinoline-8-carboxamide is sourced from PubChem (CID 167327527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).