(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide

C14H17N3O — CID 59003766

IUPAC(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2cccnc12)N(C)C
InChIInChI=1S/C14H17N3O/c1-10(17(2)3)14(18)16-12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyOFDQQMIJUMEDEF-JTQLQIEISA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds3

About (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide

(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide (PubChem CID 59003766) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
PubChem CID59003766
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cccc2cccnc12)N(C)C
InChIInChI=1S/C14H17N3O/c1-10(17(2)3)14(18)16-12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyOFDQQMIJUMEDEF-JTQLQIEISA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148
(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
CID 8781732
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
(2S)-3-methyl-2-(phenylcarbamoylamino)-N-quinolin-8-ylbutanamide
CID 9107572
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
1-propyl-3-quinolin-8-ylurea
CID 13078451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide (CID 59003766) is (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide is C[C@@H](C(=O)Nc1cccc2cccnc12)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide?
The InChIKey is OFDQQMIJUMEDEF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(17(2)3)14(18)16-12-8-4-6-11-7-5-9-15-13(11)12/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide?
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 59003766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).