[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone

C24H23N5O3 — CID 167941425

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccccc1Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCOC(CO)C1
InChIInChI=1S/C24H23N5O3/c30-16-20-14-28(9-10-32-20)24(31)21-7-3-1-6-18(21)13-29-15-23(26-27-29)19-11-17-5-2-4-8-22(17)25-12-19/h1-8,11-12,15,20,30H,9-10,13-14,16H2
InChIKeyNAPALOBSDOIRHD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.37
Rot. Bonds5

About [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone

[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone (PubChem CID 167941425) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone
PubChem CID167941425
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccccc1Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCOC(CO)C1
InChIInChI=1S/C24H23N5O3/c30-16-20-14-28(9-10-32-20)24(31)21-7-3-1-6-18(21)13-29-15-23(26-27-29)19-11-17-5-2-4-8-22(17)25-12-19/h1-8,11-12,15,20,30H,9-10,13-14,16H2
InChIKeyNAPALOBSDOIRHD-UHFFFAOYSA-N
XLogP2.37
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone with MolForge

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Related Compounds

(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-phenylphenyl)-[6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110148510
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
1-[(2S)-2-[[4-(2-pyridin-2-ylpyrimidin-5-yl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 97144650
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone (CID 167941425) is [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone is O=C(c1ccccc1Cn1cc(-c2cnc3ccccc3c2)nn1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone?
The InChIKey is NAPALOBSDOIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-16-20-14-28(9-10-32-20)24(31)21-7-3-1-6-18(21)13-29-15-23(26-27-29)19-11-17-5-2-4-8-22(17)25-12-19/h1-8,11-12,15,20,30H,9-10,13-14,16H2.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone?
[2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone has a molecular weight of 429.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-[2-[(4-quinolin-3-yltriazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 167941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).