1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one

C17H21N3O — CID 115619137

IUPAC1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
SMILESCC(NCc1ccnc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H21N3O/c1-13(17(21)20-10-4-5-11-20)19-12-14-8-9-18-16-7-3-2-6-15(14)16/h2-3,6-9,13,19H,4-5,10-12H2,1H3
InChIKeySMBWNXKGMPHDMA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.34
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one

1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one (PubChem CID 115619137) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
PubChem CID115619137
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
SMILESCC(NCc1ccnc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C17H21N3O/c1-13(17(21)20-10-4-5-11-20)19-12-14-8-9-18-16-7-3-2-6-15(14)16/h2-3,6-9,13,19H,4-5,10-12H2,1H3
InChIKeySMBWNXKGMPHDMA-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one (CID 115619137) is 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one is CC(NCc1ccnc2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one?
The InChIKey is SMBWNXKGMPHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(17(21)20-10-4-5-11-20)19-12-14-8-9-18-16-7-3-2-6-15(14)16/h2-3,6-9,13,19H,4-5,10-12H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one?
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one is sourced from PubChem (CID 115619137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).