N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide

C22H28N4O3 — CID 135092836

IUPACN,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide
SMILESCN(C)C(=O)CN1CC2(CCN(c3ccnc4ccccc34)CC2)OCCC1=O
InChIInChI=1S/C22H28N4O3/c1-24(2)21(28)15-26-16-22(29-14-8-20(26)27)9-12-25(13-10-22)19-7-11-23-18-6-4-3-5-17(18)19/h3-7,11H,8-10,12-16H2,1-2H3
InChIKeyNDRSAHSIBUIGEU-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.91
Rot. Bonds3

About N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide

N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide (PubChem CID 135092836) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide
PubChem CID135092836
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide
SMILESCN(C)C(=O)CN1CC2(CCN(c3ccnc4ccccc34)CC2)OCCC1=O
InChIInChI=1S/C22H28N4O3/c1-24(2)21(28)15-26-16-22(29-14-8-20(26)27)9-12-25(13-10-22)19-7-11-23-18-6-4-3-5-17(18)19/h3-7,11H,8-10,12-16H2,1-2H3
InChIKeyNDRSAHSIBUIGEU-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide (CID 135092836) is N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide is CN(C)C(=O)CN1CC2(CCN(c3ccnc4ccccc34)CC2)OCCC1=O.
What is the InChIKey of N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide?
The InChIKey is NDRSAHSIBUIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24(2)21(28)15-26-16-22(29-14-8-20(26)27)9-12-25(13-10-22)19-7-11-23-18-6-4-3-5-17(18)19/h3-7,11H,8-10,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide?
N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10-oxo-3-quinolin-4-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl)acetamide is sourced from PubChem (CID 135092836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).