7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane

C55H61N7O8 — CID 157164843

IUPAC7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
SMILESCOc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCCN1CCC2(COC2)C1
InChIInChI=1S/C28H31N3O4.C27H30N4O4/c1-19-10-20-12-21(15-30-23(20)11-19)35-25-4-6-29-24-14-27(26(32-2)13-22(24)25)34-9-3-7-31-8-5-28(16-31)17-33-18-28;1-18-8-19-10-20(13-28-22(19)9-18)35-26-21-11-24(32-2)25(12-23(21)29-17-30-26)34-7-3-5-31-6-4-27(14-31)15-33-16-27/h4,6,10,12-15H,3,5,7-9,11,16-18H2,1-2H3;8,10-13,17H,3-7,9,14-16H2,1-2H3
InChIKeyAMUCCYUWJBLUAV-UHFFFAOYSA-N
MW948.13 g/mol
LogP9.16
Rot. Bonds16

About 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane

7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 157164843) has the molecular formula C55H61N7O8 and a molecular weight of 948.13 g/mol. Its IUPAC name is 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID157164843
Molecular FormulaC55H61N7O8
Molecular Weight948.13 g/mol
Exact Mass947.46
IUPAC Name7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
SMILESCOc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCCN1CCC2(COC2)C1
InChIInChI=1S/C28H31N3O4.C27H30N4O4/c1-19-10-20-12-21(15-30-23(20)11-19)35-25-4-6-29-24-14-27(26(32-2)13-22(24)25)34-9-3-7-31-8-5-28(16-31)17-33-18-28;1-18-8-19-10-20(13-28-22(19)9-18)35-26-21-11-24(32-2)25(12-23(21)29-17-30-26)34-7-3-5-31-6-4-27(14-31)15-33-16-27/h4,6,10,12-15H,3,5,7-9,11,16-18H2,1-2H3;8,10-13,17H,3-7,9,14-16H2,1-2H3
InChIKeyAMUCCYUWJBLUAV-UHFFFAOYSA-N
XLogP9.16
TPSA144.77 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.13
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane with MolForge

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Launch Full Analysis

Related Compounds

PQ-10
CID 11955614
6,7-dimethoxy-4-[(3R)-3-(pyridin-2-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102602
6,7-dimethoxy-4-[(3R)-3-(pyridin-4-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102603
6,7-dimethoxy-4-[(3R)-3-[(2-methylquinolin-6-yl)oxy]pyrrolidin-1-yl]quinazoline
CID 16102606
4-[(3R)-3-(isoquinolin-3-yloxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 16102607
6,7-dimethoxy-4-[(3R)-3-(pyridin-3-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102627
6,7-dimethoxy-4-[(3R)-3-(quinolin-6-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102629
6,7-dimethoxy-4-[(3R)-3-(quinolin-7-yloxy)pyrrolidin-1-yl]quinazoline
CID 16102630
6,7-Dimethoxy-4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)quinazoline
CID 11704101
7-Methoxy-4-(pyridin-3-yl)-6-[2-(quinolin-2-yl)ethoxy]quinazoline
CID 24945707
4-[3-[4-(1-Benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CID 164608917
4-[3-[4-(1-Butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CID 164610177

Frequently Asked Questions

What is the IUPAC name of 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane (CID 157164843) is 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane is COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCCN1CCC2(COC2)C1.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCCN1CCC2(COC2)C1.
What is the InChIKey of 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is AMUCCYUWJBLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4.C27H30N4O4/c1-19-10-20-12-21(15-30-23(20)11-19)35-25-4-6-29-24-14-27(26(32-2)13-22(24)25)34-9-3-7-31-8-5-28(16-31)17-33-18-28;1-18-8-19-10-20(13-28-22(19)9-18)35-26-21-11-24(32-2)25(12-23(21)29-17-30-26)34-7-3-5-31-6-4-27(14-31)15-33-16-27/h4,6,10,12-15H,3,5,7-9,11,16-18H2,1-2H3;8,10-13,17H,3-7,9,14-16H2,1-2H3.
What are the key properties of 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane?
7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 948.13 g/mol, XLogP of 9.16, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 157164843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).