[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C21H20N2O2 — CID 847425

IUPAC[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N2O2/c1-15-6-8-16(9-7-15)20-14-18(17-4-2-3-5-19(17)22-20)21(24)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3
InChIKeyHNOXYRUTZPAAFZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.68
Rot. Bonds2

About [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 847425) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID847425
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N2O2/c1-15-6-8-16(9-7-15)20-14-18(17-4-2-3-5-19(17)22-20)21(24)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3
InChIKeyHNOXYRUTZPAAFZ-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

SB 222200
CID 6604009
Cabamiquine
CID 71748268
SB 414240
CID 9806459
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
CID 154702659
SB 218795
CID 6604858
Tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-YL}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
CID 49843456
Propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
CID 126753798
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 57398678
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 847425) is [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HNOXYRUTZPAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-6-8-16(9-7-15)20-14-18(17-4-2-3-5-19(17)22-20)21(24)23-10-12-25-13-11-23/h2-9,14H,10-13H2,1H3.
What are the key properties of [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 332.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 847425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).