[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate

C27H32N4O4 — CID 137478985

IUPAC[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
SMILESCOc1cc2c(NCc3cccnc3)c3c(nc2cc1OCCCN1CCCC1)CCC3OC=O
InChIInChI=1S/C27H32N4O4/c1-33-24-14-20-22(15-25(24)34-13-5-12-31-10-2-3-11-31)30-21-7-8-23(35-18-32)26(21)27(20)29-17-19-6-4-9-28-16-19/h4,6,9,14-16,18,23H,2-3,5,7-8,10-13,17H2,1H3,(H,29,30)
InChIKeyNNTYMOIGSQHXNK-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.28
Rot. Bonds11

About [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate

[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate (PubChem CID 137478985) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate.

Molecular Properties

Compound Name[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
PubChem CID137478985
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
SMILESCOc1cc2c(NCc3cccnc3)c3c(nc2cc1OCCCN1CCCC1)CCC3OC=O
InChIInChI=1S/C27H32N4O4/c1-33-24-14-20-22(15-25(24)34-13-5-12-31-10-2-3-11-31)30-21-7-8-23(35-18-32)26(21)27(20)29-17-19-6-4-9-28-16-19/h4,6,9,14-16,18,23H,2-3,5,7-8,10-13,17H2,1H3,(H,29,30)
InChIKeyNNTYMOIGSQHXNK-UHFFFAOYSA-N
XLogP4.28
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
CID 137479061
[8-methoxy-7-(3-piperidin-1-ylpropoxy)-4-(propan-2-ylamino)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155523
[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
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
CID 137479092
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
1-ethyl-4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]piperidin-2-one
CID 130345883
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
CID 130345803
1-[[7-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,8]naphthyridin-5-yl]amino]-2-methylpropan-2-ol
CID 137478957
2-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]acetic acid
CID 130345731
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The IUPAC name of [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate (CID 137478985) is [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate.
What is the SMILES notation for [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The canonical SMILES for [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate is COc1cc2c(NCc3cccnc3)c3c(nc2cc1OCCCN1CCCC1)CCC3OC=O.
What is the InChIKey of [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The InChIKey is NNTYMOIGSQHXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-33-24-14-20-22(15-25(24)34-13-5-12-31-10-2-3-11-31)30-21-7-8-23(35-18-32)26(21)27(20)29-17-19-6-4-9-28-16-19/h4,6,9,14-16,18,23H,2-3,5,7-8,10-13,17H2,1H3,(H,29,30).
What are the key properties of [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate has a molecular weight of 476.58 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate is sourced from PubChem (CID 137478985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).