2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide

C22H29N3O3 — CID 91957828

IUPAC2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C22H29N3O3/c1-17-19(14-18-4-2-3-5-20(18)24-17)21(26)23-15-22(6-10-27-11-7-22)16-25-8-12-28-13-9-25/h2-5,14H,6-13,15-16H2,1H3,(H,23,26)
InChIKeyWHNWNEBTMQGOKO-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.40
Rot. Bonds5

About 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide

2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide (PubChem CID 91957828) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
PubChem CID91957828
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C22H29N3O3/c1-17-19(14-18-4-2-3-5-20(18)24-17)21(26)23-15-22(6-10-27-11-7-22)16-25-8-12-28-13-9-25/h2-5,14H,6-13,15-16H2,1H3,(H,23,26)
InChIKeyWHNWNEBTMQGOKO-UHFFFAOYSA-N
XLogP2.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
3,6-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91957324
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957844
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide (CID 91957828) is 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NCC1(CN2CCOCC2)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide?
The InChIKey is WHNWNEBTMQGOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-19(14-18-4-2-3-5-20(18)24-17)21(26)23-15-22(6-10-27-11-7-22)16-25-8-12-28-13-9-25/h2-5,14H,6-13,15-16H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide?
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 91957828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).