2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide

C17H22N4O2 — CID 94022811

IUPAC2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide
SMILESC[C@@H](CNc1cc(C(N)=O)c2ccccc2n1)N1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-12(21-6-8-23-9-7-21)11-19-16-10-14(17(18)22)13-4-2-3-5-15(13)20-16/h2-5,10,12H,6-9,11H2,1H3,(H2,18,22)(H,19,20)/t12-/m0/s1
InChIKeyNKKQOBMZLOMBKS-LBPRGKRZSA-N
MW314.39 g/mol
LogP1.47
Rot. Bonds5

About 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide

2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide (PubChem CID 94022811) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide
PubChem CID94022811
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide
SMILESC[C@@H](CNc1cc(C(N)=O)c2ccccc2n1)N1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-12(21-6-8-23-9-7-21)11-19-16-10-14(17(18)22)13-4-2-3-5-15(13)20-16/h2-5,10,12H,6-9,11H2,1H3,(H2,18,22)(H,19,20)/t12-/m0/s1
InChIKeyNKKQOBMZLOMBKS-LBPRGKRZSA-N
XLogP1.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylpropyl)-4-phenylquinolin-2-amine
CID 51114016
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
N-(3-methyl-2-morpholin-4-ylbutyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 46975815
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
CID 63885442
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide?
The IUPAC name of 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide (CID 94022811) is 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide is C[C@@H](CNc1cc(C(N)=O)c2ccccc2n1)N1CCOCC1.
What is the InChIKey of 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide?
The InChIKey is NKKQOBMZLOMBKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(21-6-8-23-9-7-21)11-19-16-10-14(17(18)22)13-4-2-3-5-15(13)20-16/h2-5,10,12H,6-9,11H2,1H3,(H2,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide?
2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide is sourced from PubChem (CID 94022811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).