N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide

C21H24N2O — CID 122188239

IUPACN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1
InChIInChI=1S/C21H24N2O/c24-21(18-10-11-18)22-14-19-13-12-17-8-4-5-9-20(17)23(19)15-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,22,24)
InChIKeyCYKKFFKBQHHIOE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.53
Rot. Bonds5

About N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide

N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 122188239) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide
PubChem CID122188239
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1
InChIInChI=1S/C21H24N2O/c24-21(18-10-11-18)22-14-19-13-12-17-8-4-5-9-20(17)23(19)15-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,22,24)
InChIKeyCYKKFFKBQHHIOE-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide (CID 122188239) is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide is O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1.
What is the InChIKey of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is CYKKFFKBQHHIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(18-10-11-18)22-14-19-13-12-17-8-4-5-9-20(17)23(19)15-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,22,24).
What are the key properties of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide?
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 122188239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).