4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine

C30H35FN6O2 — CID 25142130

IUPAC4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCC(N5CCOCC5)CC4)ccc3n2)c2cc[nH]c2c1
InChIInChI=1S/C30H35FN6O2/c31-22-18-25(24-3-6-32-28(24)19-22)29-33-27-2-1-21(17-26(27)30(34-29)37-11-15-39-16-12-37)20-35-7-4-23(5-8-35)36-9-13-38-14-10-36/h1-3,6,17-19,23,32H,4-5,7-16,20H2
InChIKeyXFQQLXUCSJMUHK-UHFFFAOYSA-N
MW530.65 g/mol
LogP4.05
Rot. Bonds5

About 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine

4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine (PubChem CID 25142130) has the molecular formula C30H35FN6O2 and a molecular weight of 530.65 g/mol. Its IUPAC name is 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine
PubChem CID25142130
Molecular FormulaC30H35FN6O2
Molecular Weight530.65 g/mol
Exact Mass530.28
IUPAC Name4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCC(N5CCOCC5)CC4)ccc3n2)c2cc[nH]c2c1
InChIInChI=1S/C30H35FN6O2/c31-22-18-25(24-3-6-32-28(24)19-22)29-33-27-2-1-21(17-26(27)30(34-29)37-11-15-39-16-12-37)20-35-7-4-23(5-8-35)36-9-13-38-14-10-36/h1-3,6,17-19,23,32H,4-5,7-16,20H2
InChIKeyXFQQLXUCSJMUHK-UHFFFAOYSA-N
XLogP4.05
TPSA69.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine (CID 25142130) is 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine is Fc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCC(N5CCOCC5)CC4)ccc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine?
The InChIKey is XFQQLXUCSJMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O2/c31-22-18-25(24-3-6-32-28(24)19-22)29-33-27-2-1-21(17-26(27)30(34-29)37-11-15-39-16-12-37)20-35-7-4-23(5-8-35)36-9-13-38-14-10-36/h1-3,6,17-19,23,32H,4-5,7-16,20H2.
What are the key properties of 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine?
4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine has a molecular weight of 530.65 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 25142130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).