N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid

C25H35N3O4 — CID 130345854

IUPACN-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
SMILESCOc1cc2c(NCC3CC3)c3c(nc2cc1OCCCN1CCCC1)CCC3.O=CO
InChIInChI=1S/C24H33N3O2.CH2O2/c1-28-22-14-19-21(15-23(22)29-13-5-12-27-10-2-3-11-27)26-20-7-4-6-18(20)24(19)25-16-17-8-9-17;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeySYYHQLVJYKLAJZ-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.12
Rot. Bonds9

About N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid

N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid (PubChem CID 130345854) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
PubChem CID130345854
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC NameN-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
SMILESCOc1cc2c(NCC3CC3)c3c(nc2cc1OCCCN1CCCC1)CCC3.O=CO
InChIInChI=1S/C24H33N3O2.CH2O2/c1-28-22-14-19-21(15-23(22)29-13-5-12-27-10-2-3-11-27)26-20-7-4-6-18(20)24(19)25-16-17-8-9-17;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3)
InChIKeySYYHQLVJYKLAJZ-UHFFFAOYSA-N
XLogP4.12
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
3-[[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]methyl]-2-methylazetidine-1-carboxylic acid
CID 166664736
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 137478936
3-[[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propanamide
CID 155284240
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
7-methoxy-N-(2-methylbutyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345727
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345766
7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345942
6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 155298311

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid?
The IUPAC name of N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid (CID 130345854) is N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid?
The canonical SMILES for N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid is COc1cc2c(NCC3CC3)c3c(nc2cc1OCCCN1CCCC1)CCC3.O=CO.
What is the InChIKey of N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid?
The InChIKey is SYYHQLVJYKLAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.CH2O2/c1-28-22-14-19-21(15-23(22)29-13-5-12-27-10-2-3-11-27)26-20-7-4-6-18(20)24(19)25-16-17-8-9-17;2-1-3/h14-15,17H,2-13,16H2,1H3,(H,25,26);1H,(H,2,3).
What are the key properties of N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid?
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid has a molecular weight of 441.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid is sourced from PubChem (CID 130345854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).