(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

C25H21N3O2 — CID 42653328

IUPAC(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H21N3O2/c29-25(28-14-15-30-24(17-28)19-6-2-1-3-7-19)21-16-23(18-10-12-26-13-11-18)27-22-9-5-4-8-20(21)22/h1-13,16,24H,14-15,17H2
InChIKeyHSGPJUNMNIHSPU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.51
Rot. Bonds3

About (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 42653328) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID42653328
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H21N3O2/c29-25(28-14-15-30-24(17-28)19-6-2-1-3-7-19)21-16-23(18-10-12-26-13-11-18)27-22-9-5-4-8-20(21)22/h1-13,16,24H,14-15,17H2
InChIKeyHSGPJUNMNIHSPU-UHFFFAOYSA-N
XLogP4.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 92638221
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[2-(4-methoxyphenyl)quinolin-4-yl]-[(2R)-2-(5-methylfuran-2-yl)morpholin-4-yl]methanone
CID 97071310
(4-hydroxy-1,2-oxazolidin-2-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 72856534
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218

Frequently Asked Questions

What is the IUPAC name of (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 42653328) is (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is HSGPJUNMNIHSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-25(28-14-15-30-24(17-28)19-6-2-1-3-7-19)21-16-23(18-10-12-26-13-11-18)27-22-9-5-4-8-20(21)22/h1-13,16,24H,14-15,17H2.
What are the key properties of (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 42653328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).