formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one

C23H29N3O4 — CID 154922930

IUPACformic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
SMILESCc1cc(N2CCC3(CC2)CC(=O)NCCO3)nc2cc3c(cc12)CCC3.O=CO
InChIInChI=1S/C22H27N3O2.CH2O2/c1-15-11-20(24-19-13-17-4-2-3-16(17)12-18(15)19)25-8-5-22(6-9-25)14-21(26)23-7-10-27-22;2-1-3/h11-13H,2-10,14H2,1H3,(H,23,26);1H,(H,2,3)
InChIKeyNNFZTYCERNKGDF-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.61
Rot. Bonds1

About formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one

formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one (PubChem CID 154922930) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one.

Molecular Properties

Compound Nameformic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
PubChem CID154922930
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Nameformic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
SMILESCc1cc(N2CCC3(CC2)CC(=O)NCCO3)nc2cc3c(cc12)CCC3.O=CO
InChIInChI=1S/C22H27N3O2.CH2O2/c1-15-11-20(24-19-13-17-4-2-3-16(17)12-18(15)19)25-8-5-22(6-9-25)14-21(26)23-7-10-27-22;2-1-3/h11-13H,2-10,14H2,1H3,(H,23,26);1H,(H,2,3)
InChIKeyNNFZTYCERNKGDF-UHFFFAOYSA-N
XLogP2.61
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one with MolForge

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Launch Full Analysis

Related Compounds

formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 154918425
(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812289
4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 135090647
9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138385159
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56888587
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
4-methyl-2-piperazin-1-ylquinolin-7-ol
CID 136918047
formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 163340791
3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]prop-2-enoic acid
CID 150280289
ethane;2-methyl-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-4-one
CID 142217588
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]quinoline-4-carboxylic acid;formic acid
CID 163333635

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The IUPAC name of formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one (CID 154922930) is formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one.
What is the SMILES notation for formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The canonical SMILES for formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one is Cc1cc(N2CCC3(CC2)CC(=O)NCCO3)nc2cc3c(cc12)CCC3.O=CO.
What is the InChIKey of formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The InChIKey is NNFZTYCERNKGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.CH2O2/c1-15-11-20(24-19-13-17-4-2-3-16(17)12-18(15)19)25-8-5-22(6-9-25)14-21(26)23-7-10-27-22;2-1-3/h11-13H,2-10,14H2,1H3,(H,23,26);1H,(H,2,3).
What are the key properties of formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one has a molecular weight of 411.50 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one is sourced from PubChem (CID 154922930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).