[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C21H21N3O2 — CID 97279020

IUPAC[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCCO1
InChIInChI=1S/C21H21N3O2/c1-15-14-24(11-4-12-26-15)21(25)18-13-20(16-7-9-22-10-8-16)23-19-6-3-2-5-17(18)19/h2-3,5-10,13,15H,4,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJBSUHYUADCZADS-OAHLLOKOSA-N
MW347.42 g/mol
LogP3.55
Rot. Bonds2

About [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 97279020) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID97279020
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCCO1
InChIInChI=1S/C21H21N3O2/c1-15-14-24(11-4-12-26-15)21(25)18-13-20(16-7-9-22-10-8-16)23-19-6-3-2-5-17(18)19/h2-3,5-10,13,15H,4,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJBSUHYUADCZADS-OAHLLOKOSA-N
XLogP3.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 4302075
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 97279020) is [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCCO1.
What is the InChIKey of [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is JBSUHYUADCZADS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-14-24(11-4-12-26-15)21(25)18-13-20(16-7-9-22-10-8-16)23-19-6-3-2-5-17(18)19/h2-3,5-10,13,15H,4,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 97279020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).