formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline

C22H23N3O2 — CID 154918425

IUPACformic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESCc1cc(N2CC(c3ccncc3)C2)nc2cc3c(cc12)CCC3.O=CO
InChIInChI=1S/C21H21N3.CH2O2/c1-14-9-21(24-12-18(13-24)15-5-7-22-8-6-15)23-20-11-17-4-2-3-16(17)10-19(14)20;2-1-3/h5-11,18H,2-4,12-13H2,1H3;1H,(H,2,3)
InChIKeyIIGXWBTXDFIJPA-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.73
Rot. Bonds2

About formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline

formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline (PubChem CID 154918425) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline.

Molecular Properties

Compound Nameformic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
PubChem CID154918425
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Nameformic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESCc1cc(N2CC(c3ccncc3)C2)nc2cc3c(cc12)CCC3.O=CO
InChIInChI=1S/C21H21N3.CH2O2/c1-14-9-21(24-12-18(13-24)15-5-7-22-8-6-15)23-20-11-17-4-2-3-16(17)10-19(14)20;2-1-3/h5-11,18H,2-4,12-13H2,1H3;1H,(H,2,3)
InChIKeyIIGXWBTXDFIJPA-UHFFFAOYSA-N
XLogP3.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 135090647
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
(3S,4R)-1-(7-fluoro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol;formic acid
CID 155972381
(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
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid
CID 154918694
formic acid;(1S,5R,6R)-3-(4-methyl-6-methylsulfanylquinolin-2-yl)-3-azabicyclo[3.2.0]heptan-6-ol
CID 154921701
(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155502098
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595
[1-(7-methoxy-4-methylquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354868
N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
CID 171701055
1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901090
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The IUPAC name of formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline (CID 154918425) is formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline.
What is the SMILES notation for formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The canonical SMILES for formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline is Cc1cc(N2CC(c3ccncc3)C2)nc2cc3c(cc12)CCC3.O=CO.
What is the InChIKey of formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The InChIKey is IIGXWBTXDFIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3.CH2O2/c1-14-9-21(24-12-18(13-24)15-5-7-22-8-6-15)23-20-11-17-4-2-3-16(17)10-19(14)20;2-1-3/h5-11,18H,2-4,12-13H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline has a molecular weight of 361.44 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline is sourced from PubChem (CID 154918425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).