formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

C25H35N3O5 — CID 135155651

IUPACformic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCOc1cc2c3c(c(N[C@H]4CCOC4)nc2cc1OCCCN1CCCC1)CCC3.O=CO
InChIInChI=1S/C24H33N3O3.CH2O2/c1-28-22-14-20-18-6-4-7-19(18)24(25-17-8-13-29-16-17)26-21(20)15-23(22)30-12-5-11-27-9-2-3-10-27;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3)/t17-;/m0./s1
InChIKeyRRNTWLLHZMRAJI-LMOVPXPDSA-N
MW457.57 g/mol
LogP3.50
Rot. Bonds8

About formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 135155651) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Nameformic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID135155651
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Nameformic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCOc1cc2c3c(c(N[C@H]4CCOC4)nc2cc1OCCCN1CCCC1)CCC3.O=CO
InChIInChI=1S/C24H33N3O3.CH2O2/c1-28-22-14-20-18-6-4-7-19(18)24(25-17-8-13-29-16-17)26-21(20)15-23(22)30-12-5-11-27-9-2-3-10-27;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3)/t17-;/m0./s1
InChIKeyRRNTWLLHZMRAJI-LMOVPXPDSA-N
XLogP3.50
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[8-methoxy-4-[[(3R)-oxolan-3-yl]amino]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155596
8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 162054234
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
CID 135155495
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
6-methoxy-2-N,2-N-dimethyl-4-N-(oxan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 164704339
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664

Frequently Asked Questions

What is the IUPAC name of formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 135155651) is formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is COc1cc2c3c(c(N[C@H]4CCOC4)nc2cc1OCCCN1CCCC1)CCC3.O=CO.
What is the InChIKey of formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is RRNTWLLHZMRAJI-LMOVPXPDSA-N. The full InChI is InChI=1S/C24H33N3O3.CH2O2/c1-28-22-14-20-18-6-4-7-19(18)24(25-17-8-13-29-16-17)26-21(20)15-23(22)30-12-5-11-27-9-2-3-10-27;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3)/t17-;/m0./s1.
What are the key properties of formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 457.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 135155651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).