azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone

C25H28N4O4S — CID 3580966

IUPACazepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)N1CCCCCC1
InChIInChI=1S/C25H28N4O4S/c30-25(28-11-5-1-2-6-12-28)21-18-24(23-7-3-4-10-26-23)27-22-9-8-19(17-20(21)22)34(31,32)29-13-15-33-16-14-29/h3-4,7-10,17-18H,1-2,5-6,11-16H2
InChIKeyLHLDCAUNFPFGLZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.33
Rot. Bonds4

About azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone

azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone (PubChem CID 3580966) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
PubChem CID3580966
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Nameazepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)N1CCCCCC1
InChIInChI=1S/C25H28N4O4S/c30-25(28-11-5-1-2-6-12-28)21-18-24(23-7-3-4-10-26-23)27-22-9-8-19(17-20(21)22)34(31,32)29-13-15-33-16-14-29/h3-4,7-10,17-18H,1-2,5-6,11-16H2
InChIKeyLHLDCAUNFPFGLZ-UHFFFAOYSA-N
XLogP3.33
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone (CID 3580966) is azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone?
The InChIKey is LHLDCAUNFPFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-25(28-11-5-1-2-6-12-28)21-18-24(23-7-3-4-10-26-23)27-22-9-8-19(17-20(21)22)34(31,32)29-13-15-33-16-14-29/h3-4,7-10,17-18H,1-2,5-6,11-16H2.
What are the key properties of azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone?
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone has a molecular weight of 480.59 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 3580966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).