2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide

C19H26N4O3 — CID 124906724

IUPAC2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESC[C@@H](CN(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C19H26N4O3/c1-13(23-5-7-26-8-6-23)11-22(2)12-15-10-18(24)16-9-14(19(20)25)3-4-17(16)21-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H2,20,25)(H,21,24)/t13-/m0/s1
InChIKeyBEZGLRUDMRJWSI-ZDUSSCGKSA-N
MW358.44 g/mol
LogP0.78
Rot. Bonds6

About 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide

2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 124906724) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
PubChem CID124906724
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
SMILESC[C@@H](CN(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C19H26N4O3/c1-13(23-5-7-26-8-6-23)11-22(2)12-15-10-18(24)16-9-14(19(20)25)3-4-17(16)21-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H2,20,25)(H,21,24)/t13-/m0/s1
InChIKeyBEZGLRUDMRJWSI-ZDUSSCGKSA-N
XLogP0.78
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl-[1-(5-phenylpyrazolidin-3-yl)ethyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 134080218
(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377
2-[[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97139058
7-methoxy-3-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 56716187
7-methoxy-3-[[methyl-[(2R)-2-morpholin-4-ylpropyl]amino]methyl]-1H-quinolin-2-one
CID 95213505
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
CID 56722047
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
methyl (3aS,6aS)-5-[(6-carbamoyl-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163315875
4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide;dihydrochloride
CID 154925023
4-oxo-2-[[(3S)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl]methyl]-1H-quinoline-6-carboxamide
CID 97131071

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide (CID 124906724) is 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide is C[C@@H](CN(C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is BEZGLRUDMRJWSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(23-5-7-26-8-6-23)11-22(2)12-15-10-18(24)16-9-14(19(20)25)3-4-17(16)21-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H2,20,25)(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide?
2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 124906724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).