4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine

C24H24F3N5O4 — CID 57130911

IUPAC4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(-c3c[nH]c4cc(OC(F)(F)F)cnc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H24F3N5O4/c1-33-20-10-16-18(11-21(20)35-6-2-3-32-4-7-34-8-5-32)30-14-31-22(16)17-13-28-19-9-15(12-29-23(17)19)36-24(25,26)27/h9-14,28H,2-8H2,1H3
InChIKeyIYAVDQQZDONTDX-UHFFFAOYSA-N
MW503.48 g/mol
LogP4.18
Rot. Bonds8

About 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine

4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine (PubChem CID 57130911) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine
PubChem CID57130911
Molecular FormulaC24H24F3N5O4
Molecular Weight503.48 g/mol
Exact Mass503.18
IUPAC Name4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(-c3c[nH]c4cc(OC(F)(F)F)cnc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H24F3N5O4/c1-33-20-10-16-18(11-21(20)35-6-2-3-32-4-7-34-8-5-32)30-14-31-22(16)17-13-28-19-9-15(12-29-23(17)19)36-24(25,26)27/h9-14,28H,2-8H2,1H3
InChIKeyIYAVDQQZDONTDX-UHFFFAOYSA-N
XLogP4.18
TPSA94.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 5330185
N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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CID 5330191
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine (CID 57130911) is 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine is COc1cc2c(-c3c[nH]c4cc(OC(F)(F)F)cnc34)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine?
The InChIKey is IYAVDQQZDONTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-33-20-10-16-18(11-21(20)35-6-2-3-32-4-7-34-8-5-32)30-14-31-22(16)17-13-28-19-9-15(12-29-23(17)19)36-24(25,26)27/h9-14,28H,2-8H2,1H3.
What are the key properties of 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine?
4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine has a molecular weight of 503.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-methoxy-4-[6-(trifluoromethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]quinazolin-7-yl]oxypropyl]morpholine is sourced from PubChem (CID 57130911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).