N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide

C26H27N3O4 — CID 46375271

IUPACN-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-24(30)27-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)28-23)25(31)29-13-11-26(12-14-29)32-15-16-33-26/h3-10,17H,2,11-16H2,1H3,(H,27,30)
InChIKeyFSSIFBNHHWEUFC-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.23
Rot. Bonds4

About N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide

N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide (PubChem CID 46375271) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
PubChem CID46375271
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-24(30)27-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)28-23)25(31)29-13-11-26(12-14-29)32-15-16-33-26/h3-10,17H,2,11-16H2,1H3,(H,27,30)
InChIKeyFSSIFBNHHWEUFC-UHFFFAOYSA-N
XLogP4.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide with MolForge

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Related Compounds

N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
CID 46375237
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
CID 46375309
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone
CID 3579678
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide?
The IUPAC name of N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide (CID 46375271) is N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide?
The InChIKey is FSSIFBNHHWEUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-24(30)27-19-9-7-18(8-10-19)23-17-21(20-5-3-4-6-22(20)28-23)25(31)29-13-11-26(12-14-29)32-15-16-33-26/h3-10,17H,2,11-16H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide?
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide has a molecular weight of 445.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide is sourced from PubChem (CID 46375271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).