(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide

C20H27N3O — CID 126446117

IUPAC(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)N(C)Cc1ccc2ncccc2c1)N1CCCC1
InChIInChI=1S/C20H27N3O/c1-16(23-12-3-4-13-23)7-10-20(24)22(2)15-17-8-9-19-18(14-17)6-5-11-21-19/h5-6,8-9,11,14,16H,3-4,7,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyIYOVESQVUYIWBM-INIZCTEOSA-N
MW325.46 g/mol
LogP3.46
Rot. Bonds6

About (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide

(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide (PubChem CID 126446117) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide.

Molecular Properties

Compound Name(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
PubChem CID126446117
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)N(C)Cc1ccc2ncccc2c1)N1CCCC1
InChIInChI=1S/C20H27N3O/c1-16(23-12-3-4-13-23)7-10-20(24)22(2)15-17-8-9-19-18(14-17)6-5-11-21-19/h5-6,8-9,11,14,16H,3-4,7,10,12-13,15H2,1-2H3/t16-/m0/s1
InChIKeyIYOVESQVUYIWBM-INIZCTEOSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199858
(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199859
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(quinolin-6-ylmethyl)pyridine-3-carboxamide
CID 92635136
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130

Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide?
The IUPAC name of (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide (CID 126446117) is (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide.
What is the SMILES notation for (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide?
The canonical SMILES for (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide is C[C@@H](CCC(=O)N(C)Cc1ccc2ncccc2c1)N1CCCC1.
What is the InChIKey of (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide?
The InChIKey is IYOVESQVUYIWBM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(23-12-3-4-13-23)7-10-20(24)22(2)15-17-8-9-19-18(14-17)6-5-11-21-19/h5-6,8-9,11,14,16H,3-4,7,10,12-13,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide?
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide has a molecular weight of 325.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide is sourced from PubChem (CID 126446117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).